1-(3,4-Diethoxybenzyl)-6,7-Diethoxyisoquinolinium Sulphamate
[CAS# 17332-39-7]

Identification

• Name: 1-(3,4-Diethoxybenzyl)-6,7-Diethoxyisoquinolinium Sulphamate
• Synonyms: 1-[(3,4-Diethoxyphenyl)Methyl]-6,7-Diethoxy-Isoquinolin-2-Ium Sulfamate; 1-(3,4-Diethoxybenzyl)-6,7-Diethoxy-Isoquinolin-2-Ium Sulfamate; 1-(3,4-Diethoxybenzyl)-6,7-Diethoxyisoquinolinium Sulphamate
• Molecular Formula: C₂₄H₃₂N₂O₇S
• Molecular Weight: 492.59
• CAS Registry Number: 17332-39-7
• EINECS: 241-354-8
• SMILES: O=[S]([O-])(=O)N.C2=C1C(=[NH+]C=CC1=CC(=C2OCC)OCC)CC3=CC(=C(OCC)C=C3)OCC
• InChI: 1S/C24H29NO4.H3NO3S/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;1-5(2,3)4/h9-12,14-16H,5-8,13H2,1-4H3;(H3,1,2,3,4)
• InChIKey: ZKTOHCHQLAMMQD-UHFFFAOYSA-N

Properties

• Boiling point: 677.1°C at 760 mmHg (Cal.)
• Flash point: 363.3°C (Cal.)