3-Benzyl-2,3,4,5-Tetrahydro-1H-1,4-Benzodiazepine-7-Carbonitrile
[CAS# 195984-90-8]

Identification

• Name: 3-Benzyl-2,3,4,5-Tetrahydro-1H-1,4-Benzodiazepine-7-Carbonitrile
• Synonyms: 3-BENZYL-7-CYANO-2,3,4,5-TETRAHYDRO-1H-BENZODIAZEPINE
• Molecular Formula: C₁₇H₁₇N₃
• Molecular Weight: 263.34
• CAS Registry Number: 195984-90-8
• SMILES: N#Cc3cc1c(NCC(NC1)Cc2ccccc2)cc3
• InChI: 1S/C17H17N3/c18-10-14-6-7-17-15(8-14)11-19-16(12-20-17)9-13-4-2-1-3-5-13/h1-8,16,19-20H,9,11-12H2
• InChIKey: HJWNLDCDSOLVJC-UHFFFAOYSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 457.86°C at 760 mmHg (Cal.)
• Flash point: 230.706°C (Cal.)
• Refractive index: 1.637 (Cal.)