3,4-diethylaniline hydrochloride

• ChemBase ID: 246961
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1(c(ccc(c1)N)CC)CC.Cl
• Canonical SMILES: CCc1cc(N)ccc1CC.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-3-8-5-6-10(11)7-9(8)4-2;/h5-7H,3-4,11H2,1-2H3;1H
• InChIKey: BXMNRMPDVACUMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-diethylaniline hydrochloride
• IUPAC Traditional name: 3,4-diethylaniline hydrochloride
• Synonyms: 3,4-diethylaniline hydrochloride

Database IDs

• MDL Number: MFCD18827535
• PubChem SID: 164302871
• PubChem CID: 71758118

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.91968
• LogD (pH = 7.4): 3.05821
• Log P: 3.0602999
• Molar Refractivity: 50.0428 cm^3
• Polarizability: 18.720247 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 2.921

Product Information

• Purity: 95%