[(Octylimino)Bis(Methylene)]Bisphosphonic Acid
[CAS# 5995-31-3]

Identification

• Name: [(Octylimino)Bis(Methylene)]Bisphosphonic Acid
• Molecular Formula: C₂₂H₃₂ClN₅OS
• Molecular Weight: 450.04
• CAS Registry Number: 5995-31-3
• EINECS: 227-830-8
• SMILES: C2=C(N=C(SCC1=CC=CC(=C1)C(=O)NCCN(C)C)N=C2N(CCC)CCC)Cl
• InChI: 1S/C22H32ClN5OS/c1-5-11-28(12-6-2)20-15-19(23)25-22(26-20)30-16-17-8-7-9-18(14-17)21(29)24-10-13-27(3)4/h7-9,14-15H,5-6,10-13,16H2,1-4H3,(H,24,29)
• InChIKey: DNRIWLQBENBDCS-UHFFFAOYSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 617.048°C at 760 mmHg (Cal.)
• Flash point: 326.979°C (Cal.)