1-[(2S,3R)-2,3-Dimethylaziridin-1-Yl]-3-(2-Nitroimidazol-1-Yl)Propan-2-Ol
[CAS# 105027-77-8]

Identification

• Name: 1-[(2S,3R)-2,3-Dimethylaziridin-1-Yl]-3-(2-Nitroimidazol-1-Yl)Propan-2-Ol
• Synonyms: 1-[(2S,3R)-2,3-Dimethyl-1-Aziridinyl]-3-(2-Nitro-1-Imidazolyl)Propan-2-Ol; 1-[(2S,3R)-2,3-Dimethylethylenimin-1-Yl]-3-(2-Nitroimidazol-1-Yl)Propan-2-Ol; Nci60_004500
• Molecular Formula: C₁₀H₁₆N₄O₃
• Molecular Weight: 240.26
• CAS Registry Number: 105027-77-8
• SMILES: [C@H]1(N([C@@H]1C)CC(O)C[N]2C(=NC=C2)[N+]([O-])=O)C
• InChI: 1S/C10H16N4O3/c1-7-8(2)13(7)6-9(15)5-12-4-3-11-10(12)14(16)17/h3-4,7-9,15H,5-6H2,1-2H3/t7-,8+,9?,13?
• InChIKey: VKUQQJFQNDTATQ-XOIHQXTHSA-N

Properties

• Density: 1.467g/cm³ (Cal.)
• Boiling point: 457.393°C at 760 mmHg (Cal.)
• Flash point: 230.423°C (Cal.)