4-(3-Phosphonopropyl)-2-piperazinecarboxylic acid
[CAS# 9075-64-3]

Identification

• Name: 4-(3-Phosphonopropyl)-2-piperazinecarboxylic acid
• Synonyms: (+)-3-(2-Carboxypiperazin-4-yl)-propyl-1-phosphoric Acid; (±)-3-(2-Carboxypiperazin-4-yl)propyl-1-phosphonic acid; (±)-3-(2-Carboxypiperazin-4-yl)propyl-1-phosphonic acid
• Molecular Formula: C₈H₁₇N₂O₅P
• Molecular Weight: 252.20
• CAS Registry Number: 9075-64-3
• SMILES: C1CN(CC(N1)C(=O)O)CCCP(=O)(O)O
• InChI: 1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)
• InChIKey: CUVGUPIVTLGRGI-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 546.7±60.0°C at 760 mmHg (Cal.)
• Flash point: 284.4±32.9°C (Cal.)
• solubility: Soluble to 100 mM in water and to 100 mM in DMSO