3-(((4,5-Dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino)phenol monomethanesulfonate (salt), mixt. with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline hydrochloride
[CAS# 122087-31-4]

Identification

• Name: 3-(((4,5-Dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino)phenol monomethanesulfonate (salt), mixt. with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline hydrochloride
• Synonyms: 3-(4,5-Dihydro-1H-Imidazol-2-Ylmethyl-(P-Tolyl)Amino)Phenol; 1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-Isoquinoline; Methanesulfonic Acid; Hydrochloride; 3-(4,5-Dihydro-1H-Imidazol-2-Ylmethyl-(P-Tolyl)Amino)Phenol; 1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxyisoquinoline
• Molecular Formula: C₃₈H₄₅ClN₄O₈S
• Molecular Weight: 753.31
• CAS Registry Number: 122087-31-4
• SMILES: N1C(=NCC1)CN(C2=CC=C(C=C2)C)C3=CC(=CC=C3)O.[H+].C[S](O)(=O)=O.C(C4=NC=CC5=CC(=C(OC)C=C45)OC)C6=CC(=C(OC)C=C6)OC.[Cl-]
• InChI: 1S/C20H21NO4.C17H19N3O.CH4O3S.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4;/h5-8,10-12H,9H2,1-4H3;2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4);1H
• InChIKey: PGBXGTYEEAOCCH-UHFFFAOYSA-N

Properties

• Boiling point: 483.2°C at 760 mmHg (Cal.)
• Flash point: 172.2°C (Cal.)