bis(1-propylguanidine); sulfuric acid

• ChemBase ID: 236552
• Molecular Formular: C8H24N6O4S
• Molecular Mass: 300.37896
• Monoisotopic Mass: 300.15797428
• SMILES: S(=O)(=O)(O)O.C(=N)(NCCC)N.C(=N)(NCCC)N
• Canonical SMILES: OS(=O)(=O)O.CCCNC(=N)N.CCCNC(=N)N
• InChI: InChI=1S/2C4H11N3.H2O4S/c2*1-2-3-7-4(5)6;1-5(2,3)4/h2*2-3H2,1H3,(H4,5,6,7);(H2,1,2,3,4)
• InChIKey: VZKCJJUATTWLTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09839059
• PubChem SID: 164292462
• PubChem CID: 71755733

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.4953518
• LogD (pH = 7.4): -2.4948435
• Log P: -0.07989927
• Molar Refractivity: 39.906 cm^3
• Polarizability: 11.100082 Å^3
• Polar Surface Area: 61.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.446

Product Information

• Purity: 95%