N-Demethylbromadoline
[CAS# 96817-70-8]

Identification

• Name: N-Demethylbromadoline
• Synonyms: Benzamide, 4-Bromo-N-(2-(Methylamino)Cyclohexyl)-, Trans-; N-Demethylbromadoline
• Molecular Formula: C₁₄H₁₉BrN₂O
• Molecular Weight: 311.22
• CAS Registry Number: 96817-70-8
• SMILES: [C@H]2(NC(C1=CC=C(C=C1)Br)=O)[C@@H](CCCC2)NC
• InChI: 1S/C14H19BrN2O/c1-16-12-4-2-3-5-13(12)17-14(18)10-6-8-11(15)9-7-10/h6-9,12-13,16H,2-5H2,1H3,(H,17,18)/t12-,13-/m1/s1
• InChIKey: TZDKHLXPROFMEH-CHWSQXEVSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 446.295°C at 760 mmHg (Cal.)
• Flash point: 223.711°C (Cal.)