(2S)-4-Amino-2-[Bis[3-[[(Z)-Octadec-9-Enyl]Amino]Propyl]Amino]-4-Oxobutanoic Acid
[CAS# 72050-94-3]

Identification

• Name: (2S)-4-Amino-2-[Bis[3-[[(Z)-Octadec-9-Enyl]Amino]Propyl]Amino]-4-Oxobutanoic Acid
• Synonyms: (2S)-4-Amino-2-[Bis[3-[[(Z)-Octadec-9-Enyl]Amino]Propyl]Amino]-4-Oxo-Butanoic Acid; (2S)-4-Amino-2-[Bis[3-[[(Z)-Octadec-9-Enyl]Amino]Propyl]Amino]-4-Keto-Butyric Acid; (Z,Z)-N,N2-Bis(3-(Octadec-9-Enylamino)Propyl)-L-Asparagine
• Molecular Formula: C₄₆H₉₀N₄O₃
• Molecular Weight: 747.24
• CAS Registry Number: 72050-94-3
• EINECS: 276-307-0
• SMILES: [C@@H](N(CCCNCCCCCCCC\C=C/CCCCCCCC)CCCNCCCCCCCC\C=C\CCCCCCCC)(C(=O)O)CC(=O)N
• InChI: 1S/C46H90N4O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-48-39-35-41-50(44(46(52)53)43-45(47)51)42-36-40-49-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44,48-49H,3-16,21-43H2,1-2H3,(H2,47,51)(H,52,53)/b19-17-,20-18+/t44-/m0/s1
• InChIKey: VSKPZYOWKTUDME-OIHNURFASA-N

Properties

• Density: 0.939g/cm³ (Cal.)
• Boiling point: 822.937°C at 760 mmHg (Cal.)
• Flash point: 451.496°C (Cal.)