bis(4-methylpiperazine-1-carboximidamide); sulfuric acid

• ChemBase ID: 286618
• Molecular Formular: C12H30N8O4S
• Molecular Mass: 382.4828
• Monoisotopic Mass: 382.21107248
• SMILES: S(=O)(=O)(O)O.C(=N)(N1CCN(CC1)C)N.C(=N)(N1CCN(CC1)C)N
• Canonical SMILES: OS(=O)(=O)O.CN1CCN(CC1)C(=N)N.CN1CCN(CC1)C(=N)N
• InChI: InChI=1S/2C6H14N4.H2O4S/c2*1-9-2-4-10(5-3-9)6(7)8;1-5(2,3)4/h2*2-5H2,1H3,(H3,7,8);(H2,1,2,3,4)
• InChIKey: DVHHXDCTUXTRMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methylpiperazine-1-carboximidamide); sulfuric acid
• IUPAC Traditional name: bis(4-methylpiperazine-1-carboximidamide); sulfuric acid
• Synonyms: bis(4-methylpiperazine-1-carboximidamide); sulfuric acid

Database IDs

• MDL Number: MFCD03428316
• PubChem SID: 180672149
• PubChem CID: 44890717

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.4385734
• LogD (pH = 7.4): -3.3349705
• Log P: -0.85013396
• Molar Refractivity: 51.9782 cm^3
• Polarizability: 15.581526 Å^3
• Polar Surface Area: 56.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 297 - 299°C
• Hydrophobicity(logP): -0.477

Product Information

• Purity: 95%