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

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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 Structure CAS#: 9075-64-3, 4-(3-Phosphonopropyl)-2-piperazinecarboxylic 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
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