Sodium hydrogen {[hexyl(phosphonomethyl)amino]methyl}phosphonate
[CAS# 67939-22-4]

Identification

• Name: Sodium hydrogen {[hexyl(phosphonomethyl)amino]methyl}phosphonate
• Synonyms: ((Hexylimino)bis(methylene))bisphosphonic acid, sodium salt; N-Hexyliminobis(methylenephosphonic acid), sodium salt; Phosphonic acid, ((hexylimino)bis(methylene))bis-, sodium salt
• Molecular Formula: C₈H₂₀NNaO₆P₂
• Molecular Weight: 311.18
• CAS Registry Number: 67939-22-4
• EINECS: 267-825-8
• SMILES: [Na+].[O-]P(=O)(O)CN(CP(=O)(O)O)CCCCCC
• InChI: 1S/C8H21NO6P2.Na/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);/q;+1/p-1
• InChIKey: HIBXSWJGVKYAEG-UHFFFAOYSA-M

Properties

• Boiling point: 519.5°C at 760 mmHg (Cal.)
• Flash point: 268°C (Cal.)