2-(aminomethyl)-N,N-dimethylaniline

• ChemBase ID: 12210
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: N(C)(C)c1c(cccc1)CN
• Canonical SMILES: NCc1ccccc1N(C)C
• InChI: InChI=1S/C9H14N2/c1-11(2)9-6-4-3-5-8(9)7-10/h3-6H,7,10H2,1-2H3
• InChIKey: MMSHDAHNUHLXQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-N,N-dimethylaniline
• IUPAC Traditional name: 2-(aminomethyl)-N,N-dimethylaniline
• Synonyms: N-[2-(Aminomethyl)phenyl]-N,N-dimethylamine; 2-(Aminomethyl)-N,N-dimethylaniline; 2-(Dimethylamino)benzylamine; N-[2-(Aminomethyl)phenyl]-N,N-dimethylamine

Database IDs

• CAS Number: 57678-45-2
• MDL Number: MFCD04037893
• PubChem SID: 160975517
• PubChem CID: 2760939

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

• Boiling Point: 60°C/0.037mm; 60°C/0.05mm

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold
• TSCA Listed: false