2-(aminomethyl)-N,N-dimethylaniline dihydrochloride

• ChemBase ID: 266351
• Molecular Formular: C9H16Cl2N2
• Molecular Mass: 223.14274
• Monoisotopic Mass: 222.06905388
• SMILES: c1(c(CN)cccc1)N(C)C.Cl.Cl
• Canonical SMILES: NCc1ccccc1N(C)C.Cl.Cl
• InChI: InChI=1S/C9H14N2.2ClH/c1-11(2)9-6-4-3-5-8(9)7-10;;/h3-6H,7,10H2,1-2H3;2*1H
• InChIKey: JRLIYZVHTDXITI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-N,N-dimethylaniline dihydrochloride
• IUPAC Traditional name: 2-(aminomethyl)-N,N-dimethylaniline dihydrochloride
• Synonyms: 2-(aminomethyl)-N,N-dimethylaniline dihydrochloride

Database IDs

• MDL Number: MFCD15209653
• PubChem SID: 164322261
• PubChem CID: 47002675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7191781
• LogD (pH = 7.4): -0.4603894
• Log P: 1.2070581
• Molar Refractivity: 48.96 cm^3
• Polarizability: 18.548943 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.259

Product Information

• Purity: 95%