N-ethyl-2,4-dimethylaniline hydrochloride

• ChemBase ID: 261593
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1(c(ccc(c1)C)NCC)C.Cl
• Canonical SMILES: CCNc1ccc(cc1C)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-4-11-10-6-5-8(2)7-9(10)3;/h5-7,11H,4H2,1-3H3;1H
• InChIKey: SFOIOHFBGKWVOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2,4-dimethylaniline hydrochloride
• IUPAC Traditional name: N-ethyl-2,4-dimethylaniline hydrochloride
• Synonyms: N-ethyl-2,4-dimethylaniline hydrochloride

Database IDs

• MDL Number: MFCD12912931
• PubChem SID: 164317503
• PubChem CID: 45791841

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6222537
• LogD (pH = 7.4): 2.8263347
• Log P: 2.8296747
• Molar Refractivity: 51.0828 cm^3
• Polarizability: 18.721157 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 3.168

Product Information

• Purity: 95%