piperazine-1-carboximidamide; sulfuric acid

• ChemBase ID: 252147
• Molecular Formular: C5H14N4O4S
• Molecular Mass: 226.25406
• Monoisotopic Mass: 226.07357595
• SMILES: S(=O)(=O)(O)O.C(=N)(N1CCNCC1)N
• Canonical SMILES: OS(=O)(=O)O.NC(=N)N1CCNCC1
• InChI: InChI=1S/C5H12N4.H2O4S/c6-5(7)9-3-1-8-2-4-9;1-5(2,3)4/h8H,1-4H2,(H3,6,7);(H2,1,2,3,4)
• InChIKey: GMPKWLTVZFDPEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine-1-carboximidamide; sulfuric acid
• IUPAC Traditional name: piperazine-1-carboximidamide; sulfuric acid
• Synonyms: sulfuric acid compound with piperazine-1-carboximidamide (1:1)

Database IDs

• CAS Number: 45695-84-9
• MDL Number: MFCD08246136
• PubChem SID: 164308057
• PubChem CID: 15594677

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.78714
• LogD (pH = 7.4): -4.104696
• Log P: -1.233182
• Molar Refractivity: 46.6835 cm^3
• Polarizability: 13.744519 Å^3
• Polar Surface Area: 65.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 306 - 308°C
• Hydrophobicity(logP): -3.322

Product Information

• Purity: 95%
• Salt Data: H2SO4