(1-amino-2-methylpropan-2-yl)(methyl)amine dihydrochloride

• ChemBase ID: 242257
• Molecular Formular: C5H16Cl2N2
• Molecular Mass: 175.09994
• Monoisotopic Mass: 174.06905388
• SMILES: C(NC)(CN)(C)C.Cl.Cl
• Canonical SMILES: NCC(NC)(C)C.Cl.Cl
• InChI: InChI=1S/C5H14N2.2ClH/c1-5(2,4-6)7-3;;/h7H,4,6H2,1-3H3;2*1H
• InChIKey: AEEFLGFJCJNUOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-2-methylpropan-2-yl)(methyl)amine dihydrochloride
• IUPAC Traditional name: (1-amino-2-methylpropan-2-yl)(methyl)amine dihydrochloride
• Synonyms: (1-amino-2-methylpropan-2-yl)(methyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD22566010
• PubChem SID: 164298167
• PubChem CID: 71756974

CALCULATED PROPERTIES

• Log P: -0.29271057
• Molar Refractivity: 31.7002 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.1826262
• LogD (pH = 7.4): -3.1878676

PROPERTIES

Physical Property

• Melting Point: 234 - 236°C
• Hydrophobicity(logP): -0.688

Product Information

• Purity: 95%