2-(Heptyloxy)carbanilic acid 2-(diethylamino)-1-methylethyl ester hydrochloride
[CAS# 68931-03-3]

Identification

• Name: 2-(Heptyloxy)carbanilic acid 2-(diethylamino)-1-methylethyl ester hydrochloride
• Synonyms: Diethyl-[2-[(2-Heptoxyphenyl)Carbamoyloxy]Propyl]Ammonium Chloride; Diethyl-[2-[[(2-Heptoxyphenyl)Amino]-Oxomethoxy]Propyl]Ammonium Chloride; Bk-95
• Molecular Formula: C₂₁H₃₇ClN₂O₃
• Molecular Weight: 400.99
• CAS Registry Number: 68931-03-3
• SMILES: C1=C(C(=CC=C1)NC(OC(C[NH+](CC)CC)C)=O)OCCCCCCC.[Cl-]
• InChI: 1S/C21H36N2O3.ClH/c1-5-8-9-10-13-16-25-20-15-12-11-14-19(20)22-21(24)26-18(4)17-23(6-2)7-3;/h11-12,14-15,18H,5-10,13,16-17H2,1-4H3,(H,22,24);1H
• InChIKey: JBWMXRJDMMPGCX-UHFFFAOYSA-N

Properties

• Boiling point: 434.7°C at 760 mmHg (Cal.)
• Flash point: 216.7°C (Cal.)