N,2,4-trimethylaniline

• ChemBase ID: 28827
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: c1(c(ccc(c1)C)NC)C
• Canonical SMILES: CNc1ccc(cc1C)C
• InChI: InChI=1S/C9H13N/c1-7-4-5-9(10-3)8(2)6-7/h4-6,10H,1-3H3
• InChIKey: ZIOFXYGGAJKWHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,4-trimethylaniline
• IUPAC Traditional name: N,2,4-trimethylaniline
• Synonyms: N,2,4-Trimethylaniline; N,2,4-Trimethyl-benzenamine; 2,4-Dimethyl-N-methylaniline; N,2,4-Trimethylaniline; N-Methyl-2,4-dimethylaniline; N-Methyl-2,4-xylidine

Database IDs

• CAS Number: 13021-13-1
• MDL Number: MFCD10687533
• PubChem SID: 160992134
• PubChem CID: 12352848

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3396413
• LogD (pH = 7.4): 2.4709063
• Log P: 2.4728668
• Molar Refractivity: 46.3342 cm^3
• Polarizability: 16.874317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Orange Oil
• Melting Point: 69 - 72°C
• Hydrophobicity(logP): 2.639

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%