(2,4,6-trimethylphenyl)methanamine

• ChemBase ID: 34353
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1c(c(c(cc1C)C)CN)C
• Canonical SMILES: NCc1c(C)cc(cc1C)C
• InChI: InChI=1S/C10H15N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6,11H2,1-3H3
• InChIKey: DGSRAILDFBJNQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,6-trimethylphenyl)methanamine
• IUPAC Traditional name: (2,4,6-trimethylphenyl)methanamine
• Synonyms: 1-Mesitylmethylamine; 2,4,6-Trimethylbenzylamine 97%; 1-Mesitylmethanamine; (2,4,6-trimethylphenyl)methanamine

Database IDs

• CAS Number: 40393-99-5
• MDL Number: MFCD03411013
• PubChem SID: 160997660
• PubChem CID: 458433

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.35545403
• LogD (pH = 7.4): 0.524778
• Log P: 2.6392784
• Molar Refractivity: 49.655 cm^3
• Polarizability: 19.044518 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.491

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%