bis(piperidine-1-carboximidamide); sulfuric acid

• ChemBase ID: 273775
• Molecular Formular: C12H28N6O4S
• Molecular Mass: 352.45352
• Monoisotopic Mass: 352.18927441
• SMILES: S(=O)(=O)(O)O.C(=N)(N1CCCCC1)N.C(=N)(N1CCCCC1)N
• Canonical SMILES: OS(=O)(=O)O.NC(=N)N1CCCCC1.NC(=N)N1CCCCC1
• InChI: InChI=1S/2C6H13N3.H2O4S/c2*7-6(8)9-4-2-1-3-5-9;1-5(2,3)4/h2*1-5H2,(H3,7,8);(H2,1,2,3,4)
• InChIKey: XEMFKRVIVCQOPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(piperidine-1-carboximidamide); sulfuric acid
• IUPAC Traditional name: bis(piperidine-1-carboximidamide); sulfuric acid
• Synonyms: bis(piperidine-1-carboximidamide); sulfuric acid

Database IDs

• MDL Number: MFCD01748702
• PubChem SID: 164329685
• PubChem CID: 205050

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2623415
• LogD (pH = 7.4): -2.2619586
• Log P: 0.15311258
• Molar Refractivity: 48.0701 cm^3
• Polarizability: 14.052864 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 289 - 291°C
• Hydrophobicity(logP): 0.035

Product Information

• Purity: 95%