(Z)-N-Methyl-N-(1-Oxo-9-Octadecyl)-beta-Alanine
[CAS# 18289-85-5]

Identification

• Name: (Z)-N-Methyl-N-(1-Oxo-9-Octadecyl)-beta-Alanine
• Synonyms: 3-[Methyl-[(Z)-1-Oxooctadec-9-Enyl]Amino]Propanoic Acid; 3-[Methyl-[(Z)-Octadec-9-Enoyl]Amino]Propionic Acid; (Z)-N-Methyl-N-(1-Oxo-9-Octadecyl)-Beta-Alanine
• Molecular Formula: C₂₂H₄₁NO₃
• Molecular Weight: 367.57
• CAS Registry Number: 18289-85-5
• EINECS: 242-162-7
• SMILES: C(C(=O)O)CN(C(=O)CCCCCCC\C=C/CCCCCCCC)C
• InChI: 1S/C22H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23(2)20-19-22(25)26/h10-11H,3-9,12-20H2,1-2H3,(H,25,26)/b11-10-
• InChIKey: ZRNBEAAEJJLWTJ-KHPPLWFESA-N

Properties

• Density: 0.956g/cm³ (Cal.)
• Boiling point: 514.311°C at 760 mmHg (Cal.)
• Flash point: 264.846°C (Cal.)