N-(2-Carboxyethyl)-N-(1-Oxooctadecyl)-beta-Alanine
[CAS# 50695-81-3]

Identification

• Name: N-(2-Carboxyethyl)-N-(1-Oxooctadecyl)-beta-Alanine
• Synonyms: 3-(2-Carboxyethyl-Octadecanoyl-Amino)Propanoic Acid; 3-(2-Carboxyethyl-(1-Oxooctadecyl)Amino)Propanoic Acid; 3-(2-Carboxyethyl-Stearoyl-Amino)Propionic Acid
• Molecular Formula: C₂₄H₄₅NO₅
• Molecular Weight: 427.62
• CAS Registry Number: 50695-81-3
• EINECS: 256-716-0
• SMILES: C(C(=O)O)CN(C(=O)CCCCCCCCCCCCCCCCC)CCC(=O)O
• InChI: 1S/C24H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25(20-18-23(27)28)21-19-24(29)30/h2-21H2,1H3,(H,27,28)(H,29,30)
• InChIKey: HYHKJBUKZOXUSV-UHFFFAOYSA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 596.689°C at 760 mmHg (Cal.)
• Flash point: 314.667°C (Cal.)