4-(aminomethyl)-N,N,3-trimethylaniline

• ChemBase ID: 275442
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(cc(c(cc1)CN)C)N(C)C
• Canonical SMILES: NCc1ccc(cc1C)N(C)C
• InChI: InChI=1S/C10H16N2/c1-8-6-10(12(2)3)5-4-9(8)7-11/h4-6H,7,11H2,1-3H3
• InChIKey: NLAIHUYQKSZKKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N,N,3-trimethylaniline
• IUPAC Traditional name: 4-(aminomethyl)-N,N,3-trimethylaniline
• Synonyms: 4-(aminomethyl)-N,N,3-trimethylaniline

Database IDs

• MDL Number: MFCD07786676
• PubChem SID: 164331352
• PubChem CID: 12255693

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3478174
• LogD (pH = 7.4): -0.45585895
• Log P: 1.7204795
• Molar Refractivity: 54.0012 cm^3
• Polarizability: 20.314863 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.708

Product Information

• Purity: 95%