[2,2-dimethyl-3-(methylamino)propyl](methyl)amine dihydrochloride

• ChemBase ID: 286085
• Molecular Formular: C7H20Cl2N2
• Molecular Mass: 203.1531
• Monoisotopic Mass: 202.10035401
• SMILES: C(CNC)(CNC)(C)C.Cl.Cl
• Canonical SMILES: CNCC(CNC)(C)C.Cl.Cl
• InChI: InChI=1S/C7H18N2.2ClH/c1-7(2,5-8-3)6-9-4;;/h8-9H,5-6H2,1-4H3;2*1H
• InChIKey: IQBCUILZAISAMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,2-dimethyl-3-(methylamino)propyl](methyl)amine dihydrochloride
• IUPAC Traditional name: [2,2-dimethyl-3-(methylamino)propyl](methyl)amine dihydrochloride
• Synonyms: [2,2-dimethyl-3-(methylamino)propyl](methyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD21602705
• PubChem SID: 180671616
• PubChem CID: 72135030

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.6169786
• LogD (pH = 7.4): -3.738797
• Log P: 0.474353
• Molar Refractivity: 41.0425 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 262 - 264°C
• Hydrophobicity(logP): 0.457

Product Information

• Purity: 95%