2-methylpropane-1,2-diamine dihydrochloride

• ChemBase ID: 272918
• Molecular Formular: C4H14Cl2N2
• Molecular Mass: 161.07336
• Monoisotopic Mass: 160.05340382
• SMILES: C(N)(CN)(C)C.Cl.Cl
• Canonical SMILES: NCC(N)(C)C.Cl.Cl
• InChI: InChI=1S/C4H12N2.2ClH/c1-4(2,6)3-5;;/h3,5-6H2,1-2H3;2*1H
• InChIKey: PNSSKPUPIWWFBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropane-1,2-diamine dihydrochloride
• IUPAC Traditional name: 1,2-propanediamine, 2-methyl- dihydrochloride
• Synonyms: 2-methylpropane-1,2-diamine dihydrochloride

Database IDs

• MDL Number: MFCD09835317
• PubChem SID: 164328828
• PubChem CID: 12246157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.4715667
• LogD (pH = 7.4): -3.4195433
• Log P: -0.72529095
• Molar Refractivity: 26.9256 cm^3
• Polarizability: 11.1656475 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 305 - 307°C
• Hydrophobicity(logP): -1.314

Product Information

• Purity: 95%