Mandrax
[CAS# 8076-99-1]

Identification

• Name: Mandrax
• Synonyms: 2-Benzhydryloxy-N,N-Dimethyl-Ethanamine; 2-Methyl-3-(O-Tolyl)Quinazolin-4-One; Hydrochloride; 2-Benzhydryloxy-N,N-Dimethylethanamine; 2-Methyl-3-(O-Tolyl)-4-Quinazolinone; Hydrochloride
• Molecular Formula: C₃₃H₃₆ClN₃O₂
• Molecular Weight: 542.12
• CAS Registry Number: 8076-99-1
• SMILES: [H+].C2=C(C(OCCN(C)C)C1=CC=CC=C1)C=CC=C2.C5=C(N4C(=NC3=CC=CC=C3C4=O)C)C(=CC=C5)C.[Cl-]
• InChI: 1S/C17H21NO.C16H14N2O.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19;/h3-12,17H,13-14H2,1-2H3;3-10H,1-2H3;1H
• InChIKey: WDGXQSVUSMTYNG-UHFFFAOYSA-N

Properties

• Boiling point: 343.7°C at 760 mmHg (Cal.)
• Flash point: 101.5°C (Cal.)