N-ethyl-3,4-dimethylaniline

• ChemBase ID: 57389
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1cc(c(cc1NCC)C)C
• Canonical SMILES: CCNc1ccc(c(c1)C)C
• InChI: InChI=1S/C10H15N/c1-4-11-10-6-5-8(2)9(3)7-10/h5-7,11H,4H2,1-3H3
• InChIKey: QEMSZFCUTKHUMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3,4-dimethylaniline
• IUPAC Traditional name: N-ethyl-3,4-dimethylaniline
• Synonyms: N-Ethyl-3,4-dimethylaniline

Database IDs

• CAS Number: 27285-20-7
• MDL Number: MFCD03210677
• PubChem SID: 162062152
• PubChem CID: 21480163

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5543773
• LogD (pH = 7.4): 2.8248515
• Log P: 2.8296747
• Molar Refractivity: 51.0828 cm^3
• Polarizability: 18.721024 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false