2-[ethyl(3-methylphenyl)amino]ethyl acetate

• ChemBase ID: 287409
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: CC(=O)OCCN(CC)c1cccc(C)c1
• Canonical SMILES: CCN(c1cccc(c1)C)CCOC(=O)C
• InChI: InChI=1S/C13H19NO2/c1-4-14(8-9-16-12(3)15)13-7-5-6-11(2)10-13/h5-7,10H,4,8-9H2,1-3H3
• InChIKey: KMLMCHZWMDCYPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[ethyl(3-methylphenyl)amino]ethyl acetate
• IUPAC Traditional name: 2-[ethyl(3-methylphenyl)amino]ethyl acetate
• Synonyms: 2-(Ethyl(m-tolyl)amino)ethyl acetate

Database IDs

• CAS Number: 28462-19-3
• MDL Number: MFCD00130280
• PubChem SID: 180672940
• PubChem CID: 119964

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6908157
• LogD (pH = 7.4): 2.7023928
• Log P: 2.7025423
• Molar Refractivity: 65.7202 cm^3
• Polarizability: 25.045147 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%