(2-aminopropyl)(methyl)amine dihydrochloride

• ChemBase ID: 237426
• Molecular Formular: C4H14Cl2N2
• Molecular Mass: 161.07336
• Monoisotopic Mass: 160.05340382
• SMILES: N(CC(N)C)C.Cl.Cl
• Canonical SMILES: CNCC(N)C.Cl.Cl
• InChI: InChI=1S/C4H12N2.2ClH/c1-4(5)3-6-2;;/h4,6H,3,5H2,1-2H3;2*1H
• InChIKey: JNIXHFSIBKFBSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminopropyl)(methyl)amine dihydrochloride
• IUPAC Traditional name: (2-aminopropyl)(methyl)amine dihydrochloride
• Synonyms: (2-aminopropyl)(methyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD22369950
• PubChem SID: 164293336
• PubChem CID: 71755932

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.55262
• LogD (pH = 7.4): -3.497478
• Log P: -0.57328725
• Molar Refractivity: 27.062 cm^3
• Polarizability: 11.1656475 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): -1.087

Product Information

• Purity: 95%