4-(aminomethyl)-N-methylaniline

• ChemBase ID: 244902
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(NC)ccc(cc1)CN
• Canonical SMILES: NCc1ccc(cc1)NC
• InChI: InChI=1S/C8H12N2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,10H,6,9H2,1H3
• InChIKey: IEBOWSYQQIAQHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N-methylaniline
• IUPAC Traditional name: 4-(aminomethyl)-N-methylaniline
• Synonyms: 4-(aminomethyl)-N-methylaniline

Database IDs

• MDL Number: MFCD03410998
• PubChem SID: 164300812
• PubChem CID: 22958840

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4577765
• LogD (pH = 7.4): -1.5987965
• Log P: 0.57179236
• Molar Refractivity: 44.7252 cm^3
• Polarizability: 16.702587 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.593

Product Information

• Purity: 95%