Journal of the American Chemical Society - 6333 compounds - page 70
| 1-ethynyl-3-isopropylbenzene | ||
|---|---|---|
Molecular Formula: |
C11H12 |
|
Molecular Weight: |
144.216 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
MPHWKUPDZYACTI-UHFFFAOYAV |
|
| 10-methyl-3-nitro-10H-phenothiazine | ||
Molecular Formula: |
C13H10N2O2S |
|
Molecular Weight: |
258.301 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ZTEFVFLYHUPQJJ-UHFFFAOYAP |
|
| 3-chloro-10-methyl-10H-phenothiazine | ||
Molecular Formula: |
C13H10ClNS |
|
Molecular Weight: |
247.748 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
OVDUEDRSKNXRLW-UHFFFAOYAF |
|
| 7,8,9,10-tetrahydrobenzo[a]cycloocten-5(6H)-one | ||
Molecular Formula: |
C12H14O |
![7,8,9,10-tetrahydrobenzo[a]cycloocten-5(6H)-one](/molimg/1/small/7/7759.gif)
|
Molecular Weight: |
174.243 g/mol |
|
Cas Number: |
829-14-1 |
|
InChIKey: |
SEKQECDUSDIAPN-UHFFFAOYAT |
|
| 4-cyclopentyl-2,6-piperidinedione | ||
Molecular Formula: |
C10H15NO2 |
|
Molecular Weight: |
181.235 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
QXHWYYXIXFSFQV-WXRBYKJCCS |
|
| 1H-indol-5-ol | ||
Molecular Formula: |
C8H7NO |
|
Molecular Weight: |
133.15 g/mol |
|
Cas Number: |
1953-54-4 |
|
InChIKey: |
LMIQERWZRIFWNZ-UHFFFAOYAS |
|
| 2-(benzyloxy)aniline | ||
Molecular Formula: |
C13H13NO |
|
Molecular Weight: |
199.252 g/mol |
|
Cas Number: |
20012-63-9 |
|
InChIKey: |
PLPVLSBYYOWFKM-UHFFFAOYAO |
|
| (5-benzoxy-1H-indol-3-yl)methyl-dimethyl-amine | ||
Molecular Formula: |
C18H20N2O |
|
Molecular Weight: |
280.37 g/mol |
|
Cas Number: |
1453-97-0 |
|
InChIKey: |
POTVAILTNPOQJH-UHFFFAOYAU |
|
| (5Z)-5-(1-bromopropylidene)-2,4-imidazolidinedione | ||
Molecular Formula: |
C6H7BrN2O2 |
|
Molecular Weight: |
219.038 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
IBEOUCBMRWHCOY-SQARWILIDI |
|
| 3-(5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl)-propionic acid | ||
Molecular Formula: |
C11H15NO4 |
|
Molecular Weight: |
225.244 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
KMHVZRBJGLIWLN-NDKGDYFDCP |
|
| 3-chlorobenzoic acid | ||
Molecular Formula: |
C7H5ClO2 |
|
Molecular Weight: |
156.568 g/mol |
|
Cas Number: |
535-80-8 |
|
InChIKey: |
LULAYUGMBFYYEX-BGGKNDAXCG |
|
| nicotinamide | ||
Molecular Formula: |
C6H6N2O |
|
Molecular Weight: |
122.127 g/mol |
|
Cas Number: |
98-92-0 |
|
InChIKey: |
DFPAKSUCGFBDDF-IAUQMDSZCD |
|
| ethyl 3-bromo-2-oxo-3-phenylpropanoate | ||
Molecular Formula: |
C11H11BrO3 |
|
Molecular Weight: |
271.111 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
QXIHQDOUUDXWFX-UHFFFAOYAQ |
|
| 2-bromo-1-phenylethanone | ||
Molecular Formula: |
C8H7BrO |
|
Molecular Weight: |
199.047 g/mol |
|
Cas Number: |
70-11-1 |
|
InChIKey: |
LIGACIXOYTUXAW-UHFFFAOYAV |
|
| 4-oxo-O-phosphonohomoserine | ||
Molecular Formula: |
C4H8NO7P |
|
Molecular Weight: |
213.084 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
IXZNKTPIYKDIGG-LTOSFFJOCO |
|
| 2-nitronaphthalene | ||
Molecular Formula: |
C10H7NO2 |
|
Molecular Weight: |
173.171 g/mol |
|
Cas Number: |
581-89-5 |
|
InChIKey: |
ZJYJZEAJZXVAMF-UHFFFAOYAI |
|
| 7,7-dibromonorcarane | ||
Molecular Formula: |
C7H10Br2 |
|
Molecular Weight: |
253.964 g/mol |
|
Cas Number: |
2415-79-4 |
|
InChIKey: |
IFLNHZYJRFDRRU-UHFFFAOYAG |
|
| 2,3-bis(4-chlorophenyl)aziridine | ||
Molecular Formula: |
C14H11Cl2N |
|
Molecular Weight: |
264.153 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
BSRLRZHXMCCAPX-UHFFFAOYAW |
|
| 2-amino-1,2-diphenylethanone | ||
Molecular Formula: |
C14H13NO |
|
Molecular Weight: |
211.263 g/mol |
|
Cas Number: |
3723-23-7 |
|
InChIKey: |
LKPGGRAYFGWREN-UHFFFAOYAP |
|
| 6-amino-1-butyl-3-ethylpyrimidine-2,4-dione | ||
Molecular Formula: |
C10H17N3O2 |
|
Molecular Weight: |
211.264 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
MDUIXZPOVRWKEV-UHFFFAOYAM |
|
| phenyl trifluoroacetic anhydride | ||
Molecular Formula: |
C9H5F3O3 |
|
Molecular Weight: |
218.132 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
URWYVXBYQUNESG-UHFFFAOYAW |
|
| (2-nitro-1-nitrosoethyl)benzene | ||
Molecular Formula: |
C8H8N2O3 |
|
Molecular Weight: |
180.163 g/mol |
|
Cas Number: |
3532-83-0 |
|
InChIKey: |
HJVGFXVHUWSXNU-UHFFFAOYAY |
|
| N-(2-nitro-1-phenylethyl)hydroxylamine | ||
Molecular Formula: |
C8H10N2O3 |
|
Molecular Weight: |
182.179 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
HQSUJAPKGLMAEQ-UHFFFAOYAT |
|
| N-(acetyloxy)-N-(2-nitro-1-phenylethyl)acetamide | ||
Molecular Formula: |
C12H14N2O5 |
|
Molecular Weight: |
266.254 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
SPCUDRZKJLBQRK-UHFFFAOYAN |
|
| 1-butylcyclohexylformamide | ||
Molecular Formula: |
C11H21NO |
|
Molecular Weight: |
183.294 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
PIBBBFRAHPWIST-XWKXFZRBCU |
|
| 5-methyl-2,4-hexanedione | ||
Molecular Formula: |
C7H12O2 |
|
Molecular Weight: |
128.171 g/mol |
|
Cas Number: |
7307-03-1 |
|
InChIKey: |
KHZGUWAFFHXZLC-UHFFFAOYAB |
|
| 5,7-undecanedione | ||
Molecular Formula: |
C11H20O2 |
|
Molecular Weight: |
184.279 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
NNIUGFWCIDVDCZ-UHFFFAOYAK |
|
| 2-imino-3,3-diphenylcyclopentanecarbonitrile | ||
Molecular Formula: |
C18H16N2 |
|
Molecular Weight: |
260.339 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
VLYVWDHSBNJOES-JZJYNLBNBZ |
|
| 2,2-diphenylcyclopentanone | ||
Molecular Formula: |
C17H16O |
|
Molecular Weight: |
236.313 g/mol |
|
Cas Number: |
15324-42-2 |
|
InChIKey: |
CBOPQVXWIKRPKD-UHFFFAOYAS |
|
| 2-chloro-2,2-diphenylacetyl chloride | ||
Molecular Formula: |
C14H10Cl2O |
|
Molecular Weight: |
265.138 g/mol |
|
Cas Number: |
2902-98-9 |
|
InChIKey: |
NFHKZAUDRWRXMZ-UHFFFAOYAO |
|
| N-(2,2-diphenylethenylidene)-4-methylaniline | ||
Molecular Formula: |
C21H17N |
|
Molecular Weight: |
283.373 g/mol |
|
Cas Number: |
5110-45-2 |
|
InChIKey: |
YHHNXMTTWKAUEQ-UHFFFAOYAZ |
|
| ethyl (E)-3-(carbamoylamino)-2-cyanoprop-2-enoate | ||
Molecular Formula: |
C7H9N3O3 |
|
Molecular Weight: |
183.167 g/mol |
|
Cas Number: |
61679-83-2 |
|
InChIKey: |
OYNQLVPJARAAPD-FNTKSADUDE |
|
| ethyl 4-imino-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | ||
Molecular Formula: |
C7H9N3O3 |
|
Molecular Weight: |
183.167 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
GGHDCMZITFQXRE-GCHGLNRLDU |
|
| 1-phenyl-3,4-dihydro[1]benzothieno[3,2-c]pyridine | ||
Molecular Formula: |
C17H13NS |
![1-phenyl-3,4-dihydro[1]benzothieno[3,2-c]pyridine](/molimg/1/small/7/7789.gif)
|
Molecular Weight: |
263.363 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
YENRVAIIKLLSST-UHFFFAOYAH |
|
| 1-phenyl[1]benzothieno[3,2-c]pyridine | ||
Molecular Formula: |
C17H11NS |
![1-phenyl[1]benzothieno[3,2-c]pyridine](/molimg/1/small/7/7790.gif)
|
Molecular Weight: |
261.347 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
NEZIVEYPHJIHBT-UHFFFAOYAO |
|
| 6-(3,4-dimethoxyphenyl)-2-piperidinone | ||
Molecular Formula: |
C13H17NO3 |
|
Molecular Weight: |
235.283 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ZOWKNXKUARPYCD-YHMJCDSICO |
|
| 2-phenylacetamide | ||
Molecular Formula: |
C8H9NO |
|
Molecular Weight: |
135.166 g/mol |
|
Cas Number: |
103-81-1 |
|
InChIKey: |
LSBDFXRDZJMBSC-JSGPKCTECG |
|
| N-benzyl-N',N'-dimethyl-N-phenylethane-1,2-diamine | ||
Molecular Formula: |
C17H22N2 |
|
Molecular Weight: |
254.375 g/mol |
|
Cas Number: |
961-71-7 |
|
InChIKey: |
CHOBRHHOYQKCOU-UHFFFAOYAO |
|
| 1,2-diphenyl-2-(2-pyridinylamino)ethanone | ||
Molecular Formula: |
C19H16N2O |
|
Molecular Weight: |
288.349 g/mol |
|
Cas Number: |
20622-21-3 |
|
InChIKey: |
OAZPJCNMJSFIOI-PKSOQXRJCJ |
|
| methyl 2-[(1Z)-2-nitro-1-propenyl]phenyl ether | ||
Molecular Formula: |
C10H11NO3 |
![methyl 2-[(1Z)-2-nitro-1-propenyl]phenyl ether](/molimg/1/small/7/7795.gif)
|
Molecular Weight: |
193.202 g/mol |
|
Cas Number: |
6306-34-9 |
|
InChIKey: |
OFYVONMDKJKATB-FPLPWBNLBE |
|
| 2-methylenecyclopentanol | ||
Molecular Formula: |
C6H10O |
|
Molecular Weight: |
98.145 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
GQKSJBOBUIUXGZ-UHFFFAOYAS |
|
| N,N-dimethyl-1-phenyl-1-propanamine | ||
Molecular Formula: |
C11H17N |
|
Molecular Weight: |
163.263 g/mol |
|
Cas Number: |
3330-05-0 |
|
InChIKey: |
NKNKIKKRCHVEGU-UHFFFAOYAK |
|
| 5-acetamido-thiophene-2-carboxylic acid | ||
Molecular Formula: |
C7H7NO3S |
|
Molecular Weight: |
185.204 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ZRQHWNVTOWFQTA-PSPNOWEWCY |
|
| tert-butyl 3-hydroxy-3-phenylbutanoate | ||
Molecular Formula: |
C14H20O3 |
|
Molecular Weight: |
236.311 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
LRCHPKPKDYMPGH-UHFFFAOYAN |
|
| cinnamic acid | ||
Molecular Formula: |
C9H8O2 |
|
Molecular Weight: |
148.161 g/mol |
|
Cas Number: |
140-10-3 |
|
InChIKey: |
WBYWAXJHAXSJNI-WUUUHPDCDK |
|
| 3-phenyl-2-hexanone | ||
Molecular Formula: |
C12H16O |
|
Molecular Weight: |
176.258 g/mol |
|
Cas Number: |
6306-30-5 |
|
InChIKey: |
LQEVOFWEUZODAF-UHFFFAOYAF |
|
| 2-ethyl-1,3-hexanediol | ||
Molecular Formula: |
C8H18O2 |
|
Molecular Weight: |
146.23 g/mol |
|
Cas Number: |
94-96-2 |
|
InChIKey: |
RWLALWYNXFYRGW-UHFFFAOYAO |
|
| (4Z)-3-ethyl-4-propylidene-2-oxetanone | ||
Molecular Formula: |
C8H12O2 |
|
Molecular Weight: |
140.182 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
OFSRUBQYHGLZMT-ALCCZGGFBM |
|
| 6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinone | ||
Molecular Formula: |
C10H9ClN2O |
|
Molecular Weight: |
208.647 g/mol |
|
Cas Number: |
1079-73-8 |
|
InChIKey: |
AZDWIMWFLAIPIR-NDKGDYFDCC |
|
| 5-dimethylamino-3,3-diphenylpentan-1-ol | ||
Molecular Formula: |
C19H25NO |
|
Molecular Weight: |
283.414 g/mol |
|
Cas Number: |
n/a |
|
InChIKey: |
ABPARYITZFLILC-UHFFFAOYAB |
|