Behenyltrimethylammonium Methosulfate
[CAS# 51-13-8]

Identification

• Name: Behenyltrimethylammonium Methosulfate
• Synonyms: 1-[(2-Chlorophenyl)Methyl]-2,3-Dimethyl-Guanidine; 1-[(2-Chlorophenyl)Methyl]-2,3-Dimethyl-Guanidine; Sulfuric Acid; 1-(2-Chlorobenzyl)-2,3-Dimethyl-Guanidine; 1-(2-Chlorobenzyl)-2,3-Dimethyl-Guanidine; Sulfuric Acid
• Molecular Formula: C₂₀H₃₀Cl₂N₆O₄S
• Molecular Weight: 521.46
• CAS Registry Number: 51-13-8
• SMILES: C1=C(C(=CC=C1)Cl)CNC(=NC)NC.C2=C(C(=CC=C2)Cl)CNC(=NC)NC.O=[S](=O)(O)O
• InChI: 1S/2C10H14ClN3.H2O4S/c2*1-12-10(13-2)14-7-8-5-3-4-6-9(8)11;1-5(2,3)4/h2*3-6H,7H2,1-2H3,(H2,12,13,14);(H2,1,2,3,4)
• InChIKey: KHKPENDBCIDDOT-UHFFFAOYSA-N

Properties

• Boiling point: 313.3°C at 760 mmHg (Cal.)
• Flash point: 143.3°C (Cal.)