N-Octadecenyl-1,3-Propanediamine Monogluconate
[CAS# 83542-86-3]

Identification

• Name: N-Octadecenyl-1,3-Propanediamine Monogluconate
• Synonyms: 3-Aminopropyl-[(Z)-Octadec-9-Enyl]Amine; (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic Acid; 1,3-Propanediamine, N-9-Octadecenyl-, (Z)-, Mono-D-Gluconate; D-Gluconic Acid, Compd. With (Z)-N-9-Octadecenyl-1,3-Propanediamine (1:1)
• Molecular Formula: C₂₇H₅₆N₂O₇
• Molecular Weight: 520.75
• CAS Registry Number: 83542-86-3
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)C(=O)O.C(CCC\C=C/CCCCCCCC)CCCCNCCCN
• InChI: 1S/C21H44N2.C6H12O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;7-1-2(8)3(9)4(10)5(11)6(12)13/h9-10,23H,2-8,11-22H2,1H3;2-5,7-11H,1H2,(H,12,13)/b10-9-;/t;2-,3-,4+,5-/m.1/s1
• InChIKey: ORWKHGBQQYXYCX-AJYBJSBJSA-N

Properties

• Boiling point: 435.6°C at 760 mmHg (Cal.)
• Flash point: 257.5°C (Cal.)