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Cas Number
EINECS Number
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InChIKey
Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 44
2-(chloromethyl)-1,4-dithiane
Molecular Formula:
C
5
H
9
ClS
2
Molecular Weight:
168.711 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-2-(2,3,4,6-tetramethylphenyl)ethanone
Molecular Formula:
C
18
H
20
O
Molecular Weight:
252.356 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2E)-(2-allyl-2,3-dihydro-1H-inden-1-ylidene)(cyano)ethanoate
Molecular Formula:
C
17
H
17
NO
2
Molecular Weight:
267.328 g/mol
Cas Number:
-
EINECS Number:
-
ethyl cyano(3,5-dimethoxyphenyl)acetate
Molecular Formula:
C
13
H
15
NO
4
Molecular Weight:
249.266 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-cyano-2-(3,5-dimethoxyphenyl)propanoate
Molecular Formula:
C
14
H
17
NO
4
Molecular Weight:
263.293 g/mol
Cas Number:
-
EINECS Number:
-
2-(3,5-dimethoxyphenyl)propanenitrile
Molecular Formula:
C
11
H
13
NO
2
Molecular Weight:
191.23 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxy-3-[1-(2-pyridinylamino)ethyl]naphthoquinone
Molecular Formula:
C
17
H
14
N
2
O
3
Molecular Weight:
294.31 g/mol
Cas Number:
-
EINECS Number:
-
1-benzothiophene 1,1-dioxide
Molecular Formula:
C
8
H
6
O
2
S
Molecular Weight:
166.2 g/mol
Cas Number:
825-44-5
EINECS Number:
212-544-8
1,1-dioxido-1-benzothien-3-yl methyl ether
Molecular Formula:
C
9
H
8
O
3
S
Molecular Weight:
196.227 g/mol
Cas Number:
-
EINECS Number:
-
3-piperidinobenzothiophene 1,1-dioxide
Molecular Formula:
C
13
H
15
NO
2
S
Molecular Weight:
249.334 g/mol
Cas Number:
1022-19-1
EINECS Number:
-
1-(aminosulfanyl)-2-nitrobenzene
Molecular Formula:
C
6
H
6
N
2
O
2
S
Molecular Weight:
170.192 g/mol
Cas Number:
7257-59-2
EINECS Number:
-
3-(2'-cyano[1,1'-biphenyl]-2-yl)propanoic acid
Molecular Formula:
C
16
H
13
NO
2
Molecular Weight:
251.285 g/mol
Cas Number:
-
EINECS Number:
-
5-imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carbonitrile
Molecular Formula:
C
16
H
12
N
2
Molecular Weight:
232.285 g/mol
Cas Number:
-
EINECS Number:
-
3-phenyl-2-phthalimido-propionic acid
Molecular Formula:
C
17
H
13
NO
4
Molecular Weight:
295.295 g/mol
Cas Number:
3588-64-5
EINECS Number:
-
2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]acetic acid
Molecular Formula:
C
13
H
17
N
3
O
4
Molecular Weight:
279.296 g/mol
Cas Number:
6491-20-9
EINECS Number:
-
1H,3H-benzo[de]isochromen-1-one
Molecular Formula:
C
12
H
8
O
2
Molecular Weight:
184.194 g/mol
Cas Number:
518-86-5
EINECS Number:
-
1H-[1,2,3]triazolo[4,5-b]pyridine
Molecular Formula:
C
5
H
4
N
4
Molecular Weight:
120.114 g/mol
Cas Number:
273-34-7
EINECS Number:
-
2,3-dihydro-1H-quinolin-4-one
Molecular Formula:
C
9
H
9
NO
Molecular Weight:
147.177 g/mol
Cas Number:
4295-36-7
EINECS Number:
-
6-chloro-2-methyl-4-quinolinol
Molecular Formula:
C
10
H
8
ClNO
Molecular Weight:
193.632 g/mol
Cas Number:
15644-86-7
EINECS Number:
-
(3E,4Z)-3-(hydroxyimino)-4-(phenylhydrazono)pentyl acetate
Molecular Formula:
C
13
H
17
N
3
O
3
Molecular Weight:
263.296 g/mol
Cas Number:
-
EINECS Number:
-
2,2-diphenyl-1,3-propanediol
Molecular Formula:
C
15
H
16
O
2
Molecular Weight:
228.291 g/mol
Cas Number:
5464-86-8
EINECS Number:
-
N,N-dimethyl-2-(2-phenyl-1H-benzimidazol-1-yl)ethanamine
Molecular Formula:
C
17
H
19
N
3
Molecular Weight:
265.358 g/mol
Cas Number:
-
EINECS Number:
-
3-methylamino-propionic acid ethyl ester
Molecular Formula:
C
6
H
13
NO
2
Molecular Weight:
131.175 g/mol
Cas Number:
2213-08-3
EINECS Number:
-
4-[1-ethyl-2-(4-methoxyphenyl)butyl]aniline
Molecular Formula:
C
19
H
25
NO
Molecular Weight:
283.414 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-1-pyrindan-2-ol
Molecular Formula:
C
8
H
10
N
2
O
Molecular Weight:
150.18 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-2-quinolinol
Molecular Formula:
C
9
H
8
N
2
O
Molecular Weight:
160.175 g/mol
Cas Number:
-
EINECS Number:
-
3,4,5-trimethylphenol
Molecular Formula:
C
9
H
12
O
Molecular Weight:
136.194 g/mol
Cas Number:
527-54-8
EINECS Number:
208-418-7
phenyl thioanhydride
Molecular Formula:
C
14
H
10
O
2
S
Molecular Weight:
242.298 g/mol
Cas Number:
1850-15-3
EINECS Number:
-
N-propylphenylalanine
Molecular Formula:
C
12
H
17
NO
2
Molecular Weight:
207.273 g/mol
Cas Number:
-
EINECS Number:
-
diphenylacetonitrile
Molecular Formula:
C
14
H
11
N
Molecular Weight:
193.248 g/mol
Cas Number:
86-29-3
EINECS Number:
201-662-5
(5-chloro-2-furyl)methanamine
Molecular Formula:
C
5
H
6
ClNO
Molecular Weight:
131.561 g/mol
Cas Number:
-
EINECS Number:
-
(5-chlorotetrahydro-2-furanyl)methanamine
Molecular Formula:
C
5
H
10
ClNO
Molecular Weight:
135.593 g/mol
Cas Number:
-
EINECS Number:
-
3-benzyl-5,5-dimethyl-2,4-imidazolidinedione
Molecular Formula:
C
12
H
14
N
2
O
2
Molecular Weight:
218.255 g/mol
Cas Number:
34657-68-6
EINECS Number:
-
2-methyl-5-[(5-methyl-furan-2-yl)-methyldisulfanyl-methyl]-furan
Molecular Formula:
C
12
H
14
O
2
S
2
Molecular Weight:
254.374 g/mol
Cas Number:
-
EINECS Number:
-
(5-methyl-2-furyl)methanethiol
Molecular Formula:
C
6
H
8
OS
Molecular Weight:
128.195 g/mol
Cas Number:
-
EINECS Number:
-
4-(furan-2-yl-morpholin-4-ylmethyl)morpholine
Molecular Formula:
C
13
H
20
N
2
O
3
Molecular Weight:
252.313 g/mol
Cas Number:
-
EINECS Number:
-
N-[2-(benzoylamino)-3-methyl-2-butenoyl]-beta-alanine
Molecular Formula:
C
15
H
18
N
2
O
4
Molecular Weight:
290.319 g/mol
Cas Number:
172798-59-3
EINECS Number:
-
2-(2-bromoethyl)-1H-isoindole-1,3(2H)-dione
Molecular Formula:
C
10
H
8
BrNO
2
Molecular Weight:
254.083 g/mol
Cas Number:
574-98-1
EINECS Number:
209-379-9
4-chloro-6-methylphenanthridine
Molecular Formula:
C
14
H
10
ClN
Molecular Weight:
227.693 g/mol
Cas Number:
-
EINECS Number:
-
9-allyl-9H-fluorene-9-carboxylic acid
Molecular Formula:
C
17
H
14
O
2
Molecular Weight:
250.297 g/mol
Cas Number:
-
EINECS Number:
-
N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide
Molecular Formula:
C
11
H
12
N
2
O
5
Molecular Weight:
252.227 g/mol
Cas Number:
3123-13-5
EINECS Number:
-
2-amino-1-(4-nitrophenyl)ethanone
Molecular Formula:
C
8
H
8
N
2
O
3
Molecular Weight:
180.163 g/mol
Cas Number:
5425-81-0
EINECS Number:
-
4-ethyl-2,4-dimethyl-4,5-dihydro-1H-imidazole
Molecular Formula:
C
7
H
14
N
2
Molecular Weight:
126.202 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1,2-butanediamine
Molecular Formula:
C
5
H
14
N
2
Molecular Weight:
102.18 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-2-pteridinol
Molecular Formula:
C
6
H
5
N
5
O
Molecular Weight:
163.139 g/mol
Cas Number:
-
EINECS Number:
-
(2,6-dimethoxyphenyl)(2,3,5,6-tetramethylphenyl)methanone
Molecular Formula:
C
19
H
22
O
3
Molecular Weight:
298.382 g/mol
Cas Number:
-
EINECS Number:
-
(2,6-dimethylphenyl)(2,3,5,6-tetramethylphenyl)methanone
Molecular Formula:
C
19
H
22
O
Molecular Weight:
266.383 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-N,N-diethylethanamine
Molecular Formula:
C
6
H
14
ClN
Molecular Weight:
135.637 g/mol
Cas Number:
100-35-6
EINECS Number:
-
bis(4-chlorophenyl)acetonitrile
Molecular Formula:
C
14
H
9
Cl
2
N
Molecular Weight:
262.138 g/mol
Cas Number:
20968-04-1
EINECS Number:
-
1,1'-Azobis(cyanocyclohexane)
Molecular Formula:
C
14
H
20
N
4
Molecular Weight:
244.34 g/mol
Cas Number:
2094-98-6
EINECS Number:
218-254-8
(3E)-3-methoxy-2-methyl-1-phenyl-3-penten-1-one
Molecular Formula:
C
13
H
16
O
2
Molecular Weight:
204.269 g/mol
Cas Number:
-
EINECS Number:
-
2-pyridin-2-yl-pentanoic acid
Molecular Formula:
C
10
H
13
NO
2
Molecular Weight:
179.219 g/mol
Cas Number:
-
EINECS Number:
-
4-((2E)-2-(1-pyridin-2-yl-butylidene)-hydrazinyl)-benzoic acid
Molecular Formula:
C
16
H
17
N
3
O
2
Molecular Weight:
283.33 g/mol
Cas Number:
-
EINECS Number:
-
1-pyridin-2-yl-butan-1-one
Molecular Formula:
C
9
H
11
NO
Molecular Weight:
149.192 g/mol
Cas Number:
22971-32-0
EINECS Number:
-
3-bromopropanoic acid
Molecular Formula:
C
3
H
5
BrO
2
Molecular Weight:
152.975 g/mol
Cas Number:
590-92-1
EINECS Number:
209-694-1
Proline
Molecular Formula:
C
5
H
9
NO
2
Molecular Weight:
115.132 g/mol
Cas Number:
609-36-9
EINECS Number:
210-189-3
3-(2-diethylaminoethyl)-1-ethyl-3-phenylpyrrolidin-2-one
Molecular Formula:
C
18
H
28
N
2
O
Molecular Weight:
288.433 g/mol
Cas Number:
7512-13-2
EINECS Number:
-
3-(2-diethylaminoethyl)-3-phenyloxolan-2-one
Molecular Formula:
C
16
H
23
NO
2
Molecular Weight:
261.364 g/mol
Cas Number:
-
EINECS Number:
-
1,3-dinitronaphthalene
Molecular Formula:
C
10
H
6
N
2
O
4
Molecular Weight:
218.169 g/mol
Cas Number:
606-37-1
EINECS Number:
210-116-5
5,6-dihydrophenanthridine
Molecular Formula:
C
13
H
11
N
Molecular Weight:
181.237 g/mol
Cas Number:
-
EINECS Number:
-
2-(dimethylaminomethyl)-pyridin-3-ol
Molecular Formula:
C
8
H
12
N
2
O
Molecular Weight:
152.196 g/mol
Cas Number:
2168-13-0
EINECS Number:
218-510-9
2-[(acetyloxy)methyl]-3-pyridinyl acetate
Molecular Formula:
C
10
H
11
NO
4
Molecular Weight:
209.202 g/mol
Cas Number:
67992-22-7
EINECS Number:
-
2-(bromomethyl)-3-pyridinol
Molecular Formula:
C
6
H
6
BrNO
Molecular Weight:
188.024 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3-pyridinol
Molecular Formula:
C
6
H
7
NO
Molecular Weight:
109.128 g/mol
Cas Number:
1121-25-1
EINECS Number:
214-327-3
(E)-(2-hydroxy-5-methylphenyl)(phenyl)methanone O-methyloxime
Molecular Formula:
C
15
H
15
NO
2
Molecular Weight:
241.29 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-hydroxy-5-methylphenyl)-N-methyl-1-phenylmethanimine oxide
Molecular Formula:
C
15
H
15
NO
2
Molecular Weight:
241.29 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-amino-3-(1H-indol-3-yl)propanoate
Molecular Formula:
C
13
H
16
N
2
O
2
Molecular Weight:
232.282 g/mol
Cas Number:
6519-67-1
EINECS Number:
-
2-cyano-4-(4-methoxyphenoxy)-2-methylbutanoic acid
Molecular Formula:
C
13
H
15
NO
4
Molecular Weight:
249.266 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-cyano-4-(4-methoxyphenoxy)butanoate
Molecular Formula:
C
14
H
17
NO
4
Molecular Weight:
263.293 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-cyano-4-(4-methoxyphenoxy)-2-methylbutanoate
Molecular Formula:
C
15
H
19
NO
4
Molecular Weight:
277.32 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-2-propylpyrrolidine
Molecular Formula:
C
8
H
17
N
Molecular Weight:
127.23 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-2-piperidinone
Molecular Formula:
C
6
H
11
NO
Molecular Weight:
113.159 g/mol
Cas Number:
931-20-4
EINECS Number:
213-231-9
ethyl 2-bromo-3-phenylpropanoate
Molecular Formula:
C
11
H
13
BrO
2
Molecular Weight:
257.127 g/mol
Cas Number:
39149-82-1
EINECS Number:
-
(5E)-5-hepten-2-one
Molecular Formula:
C
7
H
12
O
Molecular Weight:
112.172 g/mol
Cas Number:
6714-00-7
EINECS Number:
-
3-hydroxy-2,5-decanedione
Molecular Formula:
C
10
H
18
O
3
Molecular Weight:
186.251 g/mol
Cas Number:
-
EINECS Number:
-
2-butyl-4-hydroxy-3-methyl-2-cyclopenten-1-one
Molecular Formula:
C
10
H
16
O
2
Molecular Weight:
168.236 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-3-decene-2,5-dione
Molecular Formula:
C
10
H
16
O
2
Molecular Weight:
168.236 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2,4-dicyano-2-phenylbutanoate
Molecular Formula:
C
14
H
14
N
2
O
2
Molecular Weight:
242.277 g/mol
Cas Number:
-
EINECS Number:
-
methyl 3-methyl-2-butenoate
Molecular Formula:
C
6
H
10
O
2
Molecular Weight:
114.144 g/mol
Cas Number:
924-50-5
EINECS Number:
213-107-4
3-methyl-2-butenoic acid
Molecular Formula:
C
5
H
8
O
2
Molecular Weight:
100.117 g/mol
Cas Number:
541-47-9
EINECS Number:
208-782-7
1-(3-nitrophenyl)ethanol
Molecular Formula:
C
8
H
9
NO
3
Molecular Weight:
167.164 g/mol
Cas Number:
5400-78-2
EINECS Number:
-
2-propylhexanedial
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
-
EINECS Number:
-
5-butyl-5-isocyanatononane
Molecular Formula:
C
14
H
27
NO
Molecular Weight:
225.375 g/mol
Cas Number:
-
EINECS Number:
-
3-(2-methyl-1-piperidinyl)-1-propanol
Molecular Formula:
C
9
H
19
NO
Molecular Weight:
157.256 g/mol
Cas Number:
94-88-2
EINECS Number:
-
2-ethylsulfanyl-propionyl chloride
Molecular Formula:
C
5
H
9
ClOS
Molecular Weight:
152.645 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-cyano-3-methyl-2-butenoate
Molecular Formula:
C
8
H
11
NO
2
Molecular Weight:
153.181 g/mol
Cas Number:
759-58-0
EINECS Number:
-
ethyl 2,3-dicyano-3-methylbutanoate
Molecular Formula:
C
9
H
12
N
2
O
2
Molecular Weight:
180.207 g/mol
Cas Number:
52119-01-4
EINECS Number:
-
2,2-dimethylsuccinic acid
Molecular Formula:
C
6
H
10
O
4
Molecular Weight:
146.143 g/mol
Cas Number:
597-43-3
EINECS Number:
209-899-6
1-(2,5-dimethoxyphenyl)-2-(methylamino)ethanol
Molecular Formula:
C
11
H
17
NO
3
Molecular Weight:
211.261 g/mol
Cas Number:
-
EINECS Number:
-
N-prop-2-enoxy-N-propylpropan-1-amine
Molecular Formula:
C
9
H
19
NO
Molecular Weight:
157.256 g/mol
Cas Number:
-
EINECS Number:
-
2-bromo-N-methyl-2-phenylacetamide
Molecular Formula:
C
9
H
10
BrNO
Molecular Weight:
228.089 g/mol
Cas Number:
51685-62-2
EINECS Number:
-
2-dimethylaminoethyl 2-(2-dimethylaminoethoxy)-2-phenylacetate
Molecular Formula:
C
16
H
26
N
2
O
3
Molecular Weight:
294.394 g/mol
Cas Number:
-
EINECS Number:
-
3-propoxypropanoic acid
Molecular Formula:
C
6
H
12
O
3
Molecular Weight:
132.159 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-naphthylmethyl)cyclopentanone
Molecular Formula:
C
16
H
16
O
Molecular Weight:
224.302 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxychromeno[4,3,2-de]quinoline-1-carboxylic acid
Molecular Formula:
C
16
H
9
NO
4
Molecular Weight:
279.252 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-4-methyl-2-pentenamide
Molecular Formula:
C
6
H
11
NO
Molecular Weight:
113.159 g/mol
Cas Number:
61892-67-9
EINECS Number:
-
isopropyl 4-amino-2-hydroxybenzoate
Molecular Formula:
C
10
H
13
NO
3
Molecular Weight:
195.218 g/mol
Cas Number:
6018-21-9
EINECS Number:
-
DL-Propargylglycine
Molecular Formula:
C
5
H
7
NO
2
Molecular Weight:
113.116 g/mol
Cas Number:
64165-64-6
EINECS Number:
-
4-methyl-2,4-dinitrohexane
Molecular Formula:
C
7
H
14
N
2
O
4
Molecular Weight:
190.199 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 6-amino-2-oxo-3-chromanecarboxylate
Molecular Formula:
C
12
H
13
NO
4
Molecular Weight:
235.24 g/mol
Cas Number:
-
EINECS Number:
-
1
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