bis(1-(1-methylpiperidin-4-yl)guanidine); sulfuric acid

• ChemBase ID: 276523
• Molecular Formular: C14H34N8O4S
• Molecular Mass: 410.53596
• Monoisotopic Mass: 410.24237261
• SMILES: S(=O)(=O)(O)O.C(=N)(NC1CCN(CC1)C)N.C(=N)(NC1CCN(CC1)C)N
• Canonical SMILES: OS(=O)(=O)O.CN1CCC(CC1)NC(=N)N.CN1CCC(CC1)NC(=N)N
• InChI: InChI=1S/2C7H16N4.H2O4S/c2*1-11-4-2-6(3-5-11)10-7(8)9;1-5(2,3)4/h2*6H,2-5H2,1H3,(H4,8,9,10);(H2,1,2,3,4)
• InChIKey: BSGCNEOEYURUNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1-(1-methylpiperidin-4-yl)guanidine); sulfuric acid
• IUPAC Traditional name: bis(1-(1-methylpiperidin-4-yl)guanidine); sulfuric acid
• Synonyms: bis(1-(1-methylpiperidin-4-yl)guanidine); sulfuric acid

Database IDs

• MDL Number: MFCD19382213
• PubChem SID: 164332433
• PubChem CID: 54594225

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -6.412402
• LogD (pH = 7.4): -4.7244205
• Log P: -0.9324235
• Molar Refractivity: 56.0845 cm^3
• Polarizability: 17.4204 Å^3
• Polar Surface Area: 65.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.446

Product Information

• Purity: 95%