alpha-Methadol
[CAS# 545-90-4]

Identification

• Name: alpha-Methadol
• Synonyms: Benzeneethanol, .Beta.-[2-(Dimethylamino)Propyl]-.Alpha.-Ethyl-.Beta.-Phenyl-, [S-(R*,S*)]-; 6-Dimethylamino-4,4-Diphenyl-3-Heptanol; Benzeneethanol, Beta-(2-(Dimethylamino)Propyl)-Alpha-Ethyl-Beta-Phenyl-
• Molecular Formula: C₂₁H₂₉NO
• Molecular Weight: 311.47
• CAS Registry Number: 545-90-4
• SMILES: C2=C(C(CC(N(C)C)C)(C(CC)O)C1=CC=CC=C1)C=CC=C2
• InChI: 1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3
• InChIKey: QIRAYNIFEOXSPW-UHFFFAOYSA-N

Properties

• Density: 1.014g/cm³ (Cal.)
• Boiling point: 436.985°C at 760 mmHg (Cal.)
• Flash point: 168.397°C (Cal.)

Safety Data

• Controlled Substance: DEA Drug Code Number: 9618