4-[Butyl[2-(butylamino)acetyl]amino]-Benzoic acid butyl ester, hydrochloride
[CAS# 78329-87-0]

Identification

• Name: 4-[Butyl[2-(butylamino)acetyl]amino]-Benzoic acid butyl ester, hydrochloride
• Synonyms: [2-[(4-Butoxycarbonylphenyl)-Butyl-Amino]-2-Oxo-Ethyl]-Butyl-Ammonium Chloride; [2-[[4-(Butoxy-Oxomethyl)Phenyl]-Butylamino]-2-Oxoethyl]-Butylammonium Chloride; [2-[(4-Butoxycarbonylphenyl)-Butyl-Amino]-2-Keto-Ethyl]-Butyl-Ammonium Chloride
• Molecular Formula: C₂₁H₃₅ClN₂O₃
• Molecular Weight: 398.97
• CAS Registry Number: 78329-87-0
• SMILES: C1=C(N(C(C[NH2+]CCCC)=O)CCCC)C=CC(=C1)C(OCCCC)=O.[Cl-]
• InChI: 1S/C21H34N2O3.ClH/c1-4-7-14-22-17-20(24)23(15-8-5-2)19-12-10-18(11-13-19)21(25)26-16-9-6-3;/h10-13,22H,4-9,14-17H2,1-3H3;1H
• InChIKey: PMGFSDBWIONHAB-UHFFFAOYSA-N

Properties

• Boiling point: 483°C at 760 mmHg (Cal.)
• Flash point: 245.9°C (Cal.)