1,1-Bis[(Dimethylamino)Methyl]Propyl Benzoate Monohydrochloride
[CAS# 631-38-9]

Identification

• Name: 1,1-Bis[(Dimethylamino)Methyl]Propyl Benzoate Monohydrochloride
• Synonyms: [2-Benzoyloxy-2-(Dimethylaminomethyl)Butyl]-Dimethyl-Ammonium Chloride; [2-Benzoyloxy-2-(Dimethylaminomethyl)Butyl]-Dimethylammonium Chloride; [2-(Dimethylaminomethyl)-2-(Phenylcarbonyloxy)Butyl]-Dimethyl-Azanium Chloride
• Molecular Formula: C₁₆H₂₇ClN₂O₂
• Molecular Weight: 314.85
• CAS Registry Number: 631-38-9
• EINECS: 211-156-6
• SMILES: C1=C(C(OC(CN(C)C)(C[NH+](C)C)CC)=O)C=CC=C1.[Cl-]
• InChI: 1S/C16H26N2O2.ClH/c1-6-16(12-17(2)3,13-18(4)5)20-15(19)14-10-8-7-9-11-14;/h7-11H,6,12-13H2,1-5H3;1H
• InChIKey: FHHDPMSYDYZLAP-UHFFFAOYSA-N

Properties

• Boiling point: 362°C at 760 mmHg (Cal.)
• Flash point: 172.7°C (Cal.)