N-Didemethylbromadoline
[CAS# 96817-69-5]

Identification

• Name: N-Didemethylbromadoline
• Synonyms: N-[(1R,2R)-2-Aminocyclohexyl]-4-Bromo-Benzamide; Benzamide, N-(2-Aminocyclohexyl)-4-Bromo-, Trans-,; N-Didemethylbromadoline
• Molecular Formula: C₁₃H₁₇BrN₂O
• Molecular Weight: 297.19
• CAS Registry Number: 96817-69-5
• SMILES: [C@H]2(NC(C1=CC=C(C=C1)Br)=O)[C@@H](CCCC2)N
• InChI: 1S/C13H17BrN2O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h5-8,11-12H,1-4,15H2,(H,16,17)/t11-,12-/m1/s1
• InChIKey: FDTVTLRRTCOLPL-VXGBXAGGSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 442.896°C at 760 mmHg (Cal.)
• Flash point: 221.656°C (Cal.)