| Identification | Back Directory | [Name]
3H-1-Benzazepine-4-carboxylic acid, 2-aMino-8-(3-cyanophenyl)-, ethyl ester | [CAS]
1268163-15-0 | [Synonyms]
TL8-506
YHRYTTWRVKXODS-UHFFFAOYSA-N
3H-1-Benzazepine-4-carboxylic acid, 2-aMino-8-(3-cyanophenyl)-, ethyl ester | [Molecular Formula]
C20H17N3O2 | [MDL Number]
MFCD28359121 | [MOL File]
1268163-15-0.mol | [Molecular Weight]
331.37 |
| Chemical Properties | Back Directory | [Boiling point ]
566.1±60.0 °C(Predicted) | [density ]
1.22±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
-0.87±0.40(Predicted) | [color ]
Light yellow to light brown | [InChI]
InChI=1S/C20H17N3O2/c1-2-25-20(24)17-9-16-7-6-15(10-18(16)23-19(22)11-17)14-5-3-4-13(8-14)12-21/h3-10H,2,11H2,1H3,(H2,22,23) | [InChIKey]
YHRYTTWRVKXODS-UHFFFAOYSA-N | [SMILES]
N1C2=CC(C3=CC=CC(C#N)=C3)=CC=C2C=C(C(OCC)=O)CC=1N |
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