bis(2-cyclopentylguanidine); sulfuric acid

• ChemBase ID: 276205
• Molecular Formular: C12H28N6O4S
• Molecular Mass: 352.45352
• Monoisotopic Mass: 352.18927441
• SMILES: S(=O)(=O)(O)O.C(=NC1CCCC1)(N)N.C(=NC1CCCC1)(N)N
• Canonical SMILES: OS(=O)(=O)O.NC(=NC1CCCC1)N.NC(=NC1CCCC1)N
• InChI: InChI=1S/2C6H13N3.H2O4S/c2*7-6(8)9-5-3-1-2-4-5;1-5(2,3)4/h2*5H,1-4H2,(H4,7,8,9);(H2,1,2,3,4)
• InChIKey: DPEVNBIXVJRILX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-cyclopentylguanidine); sulfuric acid
• IUPAC Traditional name: bis(2-cyclopentylguanidine); sulfuric acid
• Synonyms: bis(2-cyclopentylguanidine); sulfuric acid

Database IDs

• MDL Number: MFCD19382075
• PubChem SID: 164332115
• PubChem CID: 54594057

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.073901
• LogD (pH = 7.4): -2.0724127
• Log P: 0.3415389
• Molar Refractivity: 36.7538 cm^3
• Polarizability: 14.052864 Å^3
• Polar Surface Area: 64.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.052

Product Information

• Purity: 95%