(2-aminoethyl)(methyl)amine dihydrochloride

• ChemBase ID: 289614
• Molecular Formular: C3H12Cl2N2
• Molecular Mass: 147.04678
• Monoisotopic Mass: 146.03775375
• SMILES: NCCNC.Cl.Cl
• Canonical SMILES: NCCNC.Cl.Cl
• InChI: InChI=1S/C3H10N2.2ClH/c1-5-3-2-4;;/h5H,2-4H2,1H3;2*1H
• InChIKey: TTYAMYGZPMSITF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(methyl)amine dihydrochloride
• IUPAC Traditional name: 1,2-ethanediamine, N-methyl- dihydrochloride
• Synonyms: N1-Methylethane-1,2-diamine dihydrochloride

Database IDs

• CAS Number: 1187830-44-9
• PubChem SID: 180675145
• PubChem CID: 21844765

CALCULATED PROPERTIES

• LogD (pH = 5.5): -5.750634
• LogD (pH = 7.4): -3.7292726
• Log P: -0.98986226
• Molar Refractivity: 22.6432 cm^3
• Polarizability: 9.319206 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2

PROPERTIES

Product Information

• Purity: 95+%