2-Nitrostrychnidin-10-One
[CAS# 29854-52-2]

Identification

• Name: 2-Nitrostrychnidin-10-One
• Synonyms: 2-Nitro-Strychnine; 2-Nitrostrychnidin-10-One; Brn 0099488
• Molecular Formula: C₂₁H₂₁N₃O₄
• Molecular Weight: 379.41
• CAS Registry Number: 29854-52-2
• SMILES: [C@@H]24N7C1=CC=C([N+]([O-])=O)C=C1C23[C@H]6N(CC3)CC5=CCO[C@H]([C@@H]4[C@H]5C6)CC7=O
• InChI: 1S/C21H21N3O4/c25-18-9-16-19-13-8-17-21(4-5-22(17)10-11(13)3-6-28-16)14-7-12(24(26)27)1-2-15(14)23(18)20(19)21/h1-3,7,13,16-17,19-20H,4-6,8-10H2/t13-,16-,17-,19-,20-,21?/m0/s1
• InChIKey: PUIXISQSCVEHKU-QMVMYWSFSA-N

Properties

• Density: 1.543g/cm³ (Cal.)
• Boiling point: 640.169°C at 760 mmHg (Cal.)
• Flash point: 340.962°C (Cal.)