2-cyclopropylpropane-1,2-diamine dihydrochloride

• ChemBase ID: 272840
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: C1(CC1)C(N)(CN)C.Cl.Cl
• Canonical SMILES: NCC(C1CC1)(N)C.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-6(8,4-7)5-2-3-5;;/h5H,2-4,7-8H2,1H3;2*1H
• InChIKey: HVVXBELEXSFMAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylpropane-1,2-diamine dihydrochloride
• IUPAC Traditional name: 2-cyclopropylpropane-1,2-diamine dihydrochloride
• Synonyms: 2-cyclopropylpropane-1,2-diamine dihydrochloride

Database IDs

• MDL Number: MFCD18483195
• PubChem SID: 164328750
• PubChem CID: 54592674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.096565
• LogD (pH = 7.4): -3.054273
• Log P: -0.30152166
• Molar Refractivity: 34.119 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 268 - 270°C
• Hydrophobicity(logP): -0.87

Product Information

• Purity: 95%