N,N-Diethyl-N-Methyl-3-[(1-Oxooctadecyl)Amino]-1-Propanaminium Chloride (1:1)
[CAS# 94160-23-3]

Identification

• Name: N,N-Diethyl-N-Methyl-3-[(1-Oxooctadecyl)Amino]-1-Propanaminium Chloride (1:1)
• Synonyms: 1-Ethylpropyl-[3-(Octadecanoylamino)Propyl]Ammonium Chloride; 1-Ethylpropyl-[3-(1-Oxooctadecylamino)Propyl]Ammonium Chloride; 1-Ethylpropyl-(3-Stearamidopropyl)Ammonium Chloride
• Molecular Formula: C₂₆H₅₅ClN₂O
• Molecular Weight: 447.19
• CAS Registry Number: 94160-23-3
• EINECS: 303-306-5
• SMILES: C(NC(=O)CCCCCCCCCCCCCCCCC)CC[NH2+]C(CC)CC.[Cl-]
• InChI: 1S/C26H54N2O.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(29)28-24-21-23-27-25(5-2)6-3;/h25,27H,4-24H2,1-3H3,(H,28,29);1H
• InChIKey: YQLFIAVXRPVDRI-UHFFFAOYSA-N

Properties

• Boiling point: 541.6°C at 760 mmHg (Cal.)
• Flash point: 112.7°C (Cal.)