2-(Benzyl-(Phenylcarbamoylmethyl)Ammonio)Ethyl-Diethyl-Azanium Dichloride
[CAS# 101651-55-2]

Identification

• Name: 2-(Benzyl-(Phenylcarbamoylmethyl)Ammonio)Ethyl-Diethyl-Azanium Dichloride
• Synonyms: (2-Anilino-2-Oxo-Ethyl)-Benzyl-(2-Diethylammonioethyl)Ammonium Dichloride; (2-Anilino-2-Oxoethyl)-Benzyl-(2-Diethylammonioethyl)Ammonium Dichloride; (2-Anilino-2-Keto-Ethyl)-Benzyl-(2-Diethylammonioethyl)Ammonium Dichloride
• Molecular Formula: C₂₁H₃₁Cl₂N₃O
• Molecular Weight: 412.40
• CAS Registry Number: 101651-55-2
• SMILES: C([NH+](CC1=CC=CC=C1)CC[NH+](CC)CC)C(=O)NC2=CC=CC=C2.[Cl-].[Cl-]
• InChI: 1S/C21H29N3O.2ClH/c1-3-23(4-2)15-16-24(17-19-11-7-5-8-12-19)18-21(25)22-20-13-9-6-10-14-20;;/h5-14H,3-4,15-18H2,1-2H3,(H,22,25);2*1H
• InChIKey: GNPOOIITTQIYNU-UHFFFAOYSA-N

Properties

• Boiling point: 490.6°C at 760 mmHg (Cal.)
• Flash point: 250.5°C (Cal.)