8-Bromo-11-Ethyl-5-Methyl-5,11-Dihydro-6H-Dipyrido[3,2-B:2',3'-E][1,4]Diazepin-6-One
[CAS# 162109-00-4]

Identification

• Name: 8-Bromo-11-Ethyl-5-Methyl-5,11-Dihydro-6H-Dipyrido[3,2-B:2',3'-E][1,4]Diazepin-6-One
• Synonyms: 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 8-bromo-11-ethyl-5,11-dihydro-5-methyl-; 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one,8-bromo-11-ethyl-5,11-dihydro-5-methyl-; Nevirapine analog
• Molecular Formula: C₁₄H₁₃BrN₄O
• Molecular Weight: 333.18
• CAS Registry Number: 162109-00-4
• SMILES: CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)Br)C
• InChI: 1S/C14H13BrN4O/c1-3-19-12-10(7-9(15)8-17-12)14(20)18(2)11-5-4-6-16-13(11)19/h4-8H,3H2,1-2H3
• InChIKey: BJEIQNJCEZCSQI-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 513.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 264.6±30.1°C (Cal.)
• Refractive index: 1.628 (Cal.)