2-(aminomethyl)-4,6-dimethylaniline

• ChemBase ID: 814544
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: Nc1c(cc(cc1C)C)CN
• Canonical SMILES: NCc1cc(C)cc(c1N)C
• InChI: InChI=1S/C9H14N2/c1-6-3-7(2)9(11)8(4-6)5-10/h3-4H,5,10-11H2,1-2H3
• InChIKey: JRRJUZCDGNPBOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-4,6-dimethylaniline
• IUPAC Traditional name: 2-(aminomethyl)-4,6-dimethylaniline
• Synonyms: 2-(aminomethyl)-4,6-dimethylaniline

Database IDs

• CAS Number: 1138027-34-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6468966
• LogD (pH = 7.4): -0.45519224
• Log P: 1.296931
• Molar Refractivity: 49.3142 cm^3
• Polarizability: 18.388142 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%