(2R,3S)-2-Ethyl-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
[CAS# 700870-01-5]

Identification

• Name: (2R,3S)-2-Ethyl-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
• Synonyms: (2R,3S)-2-ethyl-3-methyl-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one
• Molecular Formula: C₁₂H₁₆N₂O
• Molecular Weight: 204.27
• CAS Registry Number: 700870-01-5
• SMILES: CC[C@@H]1[C@@H](NC(=O)C2=CC=CC=C2N1)C
• InChI: 1S/C12H16N2O/c1-3-10-8(2)13-12(15)9-6-4-5-7-11(9)14-10/h4-8,10,14H,3H2,1-2H3,(H,13,15)/t8-,10+/m0/s1
• InChIKey: ZLSZSFNAJOTQEW-WCBMZHEXSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 422.6±25.0°C at 760 mmHg (Cal.)
• Flash point: 180.1±23.3°C (Cal.)
• Refractive index: 1.504 (Cal.)