N-ethyl-3,5-dimethylaniline hydrochloride

• ChemBase ID: 261476
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1(cc(cc(c1)C)C)NCC.Cl
• Canonical SMILES: CCNc1cc(C)cc(c1)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-4-11-10-6-8(2)5-9(3)7-10;/h5-7,11H,4H2,1-3H3;1H
• InChIKey: VDFNTVQLDGPZKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3,5-dimethylaniline hydrochloride
• IUPAC Traditional name: N-ethyl-3,5-dimethylaniline hydrochloride
• Synonyms: N-ethyl-3,5-dimethylaniline hydrochloride

Database IDs

• MDL Number: MFCD12912894
• PubChem SID: 164317386
• PubChem CID: 45791807

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6744018
• LogD (pH = 7.4): 2.8273284
• Log P: 2.8296747
• Molar Refractivity: 51.0828 cm^3
• Polarizability: 18.722004 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 - 162°C
• Hydrophobicity(logP): 3.168

Product Information

• Purity: 95%