N-ethyl-2,5-dimethylaniline hydrochloride

• ChemBase ID: 261483
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1(c(ccc(c1)C)C)NCC.Cl
• Canonical SMILES: CCNc1cc(C)ccc1C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-4-11-10-7-8(2)5-6-9(10)3;/h5-7,11H,4H2,1-3H3;1H
• InChIKey: AXHTUWIQUCOJMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2,5-dimethylaniline hydrochloride
• IUPAC Traditional name: N-ethyl-2,5-dimethylaniline hydrochloride
• Synonyms: N-ethyl-2,5-dimethylaniline hydrochloride

Database IDs

• MDL Number: MFCD12912897
• PubChem SID: 164317393
• PubChem CID: 45791808

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.724048
• LogD (pH = 7.4): 2.8281708
• Log P: 2.8296747
• Molar Refractivity: 51.0828 cm^3
• Polarizability: 18.72169 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193 - 195°C
• Hydrophobicity(logP): 3.168

Product Information

• Purity: 95%