dimethyl[2-(methylamino)ethyl]amine dihydrochloride

• ChemBase ID: 70441
• Molecular Formular: C5H16Cl2N2
• Molecular Mass: 175.09994
• Monoisotopic Mass: 174.06905388
• SMILES: C(CNC)N(C)C.Cl.Cl
• Canonical SMILES: CNCCN(C)C.Cl.Cl
• InChI: InChI=1S/C5H14N2.2ClH/c1-6-4-5-7(2)3;;/h6H,4-5H2,1-3H3;2*1H
• InChIKey: JCPFKECTFKUEPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(methylamino)ethyl]amine dihydrochloride; [2-(dimethylamino)ethyl](methyl)amine dihydrochloride
• IUPAC Traditional name: dimethyl[2-(methylamino)ethyl]amine dihydrochloride; [2-(dimethylamino)ethyl](methyl)amine dihydrochloride
• Synonyms: N1,N1,N2-Trimethylethane-1,2-diamine dihydrochloride

Database IDs

• CAS Number: 326888-32-8
• MDL Number: MFCD21604009
• PubChem SID: 162036158
• PubChem CID: 56965757

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.464481
• LogD (pH = 7.4): -2.7077408
• Log P: -0.17423394
• Molar Refractivity: 32.7125 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%