Calcium 4-[3-[(Butanoylamino)Methyl]Heptan-4-Yloxy]-4-Oxobutanoate
[CAS# 32838-28-1]

Identification

• Name: Calcium 4-[3-[(Butanoylamino)Methyl]Heptan-4-Yloxy]-4-Oxobutanoate
• Synonyms: Calcium 4-[2-[(Butanoylamino)Methyl]-1-Propyl-Butoxy]-4-Oxo-Butanoate; Calcium 4-Oxo-4-[2-[(1-Oxobutylamino)Methyl]-1-Propylbutoxy]Butanoate; Calcium 4-[2-(Butyramidomethyl)-1-Propyl-Butoxy]-4-Keto-Butyrate
• Molecular Formula: C₃₂H₅₆CaN₂O₁₀
• Molecular Weight: 668.88
• CAS Registry Number: 32838-28-1
• SMILES: C(NC(=O)CCC)C(C(OC(=O)CCC([O-])=O)CCC)CC.C(NC(=O)CCC)C(C(OC(=O)CCC([O-])=O)CCC)CC.[Ca++]
• InChI: 1S/2C16H29NO5.Ca/c2*1-4-7-13(22-16(21)10-9-15(19)20)12(6-3)11-17-14(18)8-5-2;/h2*12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20);/q;;+2/p-2
• InChIKey: ZHSAFPZWZXZOOS-UHFFFAOYSA-L

Properties

• Boiling point: 517.6°C at 760 mmHg (Cal.)
• Flash point: 266.8°C (Cal.)