bis(2-cyclohexylguanidine); sulfuric acid

• ChemBase ID: 276520
• Molecular Formular: C14H32N6O4S
• Molecular Mass: 380.50668
• Monoisotopic Mass: 380.22057453
• SMILES: S(=O)(=O)(O)O.C(=NC1CCCCC1)(N)N.C(=NC1CCCCC1)(N)N
• Canonical SMILES: OS(=O)(=O)O.NC(=NC1CCCCC1)N.NC(=NC1CCCCC1)N
• InChI: InChI=1S/2C7H15N3.H2O4S/c2*8-7(9)10-6-4-2-1-3-5-6;1-5(2,3)4/h2*6H,1-5H2,(H4,8,9,10);(H2,1,2,3,4)
• InChIKey: UOXLWSZDBMDIMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982353
• PubChem SID: 164332430
• PubChem CID: 53532669

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6293317
• LogD (pH = 7.4): -1.6277997
• Log P: 0.7861076
• Molar Refractivity: 41.3548 cm^3
• Polarizability: 15.892349 Å^3
• Polar Surface Area: 64.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.507

Product Information

• Purity: 95%