phosphoric acid piperazine hydrate

• ChemBase ID: 295205
• Molecular Formular: C4H15N2O5P
• Molecular Mass: 202.146061
• Monoisotopic Mass: 202.07185822
• SMILES: C1CNCCN1.O.OP(=O)(O)O
• Canonical SMILES: N1CCNCC1.OP(=O)(O)O.O
• InChI: InChI=1S/C4H10N2.H3O4P.H2O/c1-2-6-4-3-5-1;1-5(2,3)4;/h5-6H,1-4H2;(H3,1,2,3,4);1H2
• InChIKey: PMGABIJVFLPSLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phosphoric acid piperazine hydrate
• IUPAC Traditional name: phosphoric acid piperazine hydrate
• Synonyms: Piperazine hydrogen phosphate monohydrate; 磷酸氢哌嗪单水合物

Database IDs

• CAS Number: 18534-18-4
• MDL Number: MFCD00156159
• PubChem SID: 180680736
• PubChem CID: 443965

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.077815
• LogD (pH = 7.4): -2.859133
• Log P: -0.72880685
• Molar Refractivity: 25.4488 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%