N-Desmethyl-N(4)-Desoxychlordiazepoxide
[CAS# 7564-07-0]

Identification

• Name: N-Desmethyl-N(4)-Desoxychlordiazepoxide
• Synonyms: (7-Chloro-5-Phenyl-3H-1,4-Benzodiazepin-2-Yl)Amine; 3H-1,4-Benzodiazepin-2-Amine, 7-Chloro-5-Phenyl-; Desmethyldesoxychlordiazepoxide
• Molecular Formula: C₁₅H₁₂ClN₃
• Molecular Weight: 269.73
• CAS Registry Number: 7564-07-0
• SMILES: C2=C1C(=NCC(=NC1=CC=C2Cl)N)C3=CC=CC=C3
• InChI: 1S/C15H12ClN3/c16-11-6-7-13-12(8-11)15(18-9-14(17)19-13)10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,19)
• InChIKey: UMBZDAJGYNJMGS-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 451.21°C at 760 mmHg (Cal.)
• Flash point: 226.684°C (Cal.)