2,5-diethylaniline hydrochloride

• ChemBase ID: 285093
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1(c(ccc(c1)CC)CC)N.Cl
• Canonical SMILES: CCc1ccc(c(c1)N)CC.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-3-8-5-6-9(4-2)10(11)7-8;/h5-7H,3-4,11H2,1-2H3;1H
• InChIKey: GAOASLAGBQAOIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-diethylaniline hydrochloride
• IUPAC Traditional name: 2,5-diethylaniline hydrochloride
• Synonyms: 2,5-diethylaniline hydrochloride

Database IDs

• MDL Number: MFCD20731197
• PubChem SID: 180670624
• PubChem CID: 56828086

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0160549
• LogD (pH = 7.4): 3.0597136
• Log P: 3.0602999
• Molar Refractivity: 50.0428 cm^3
• Polarizability: 18.720873 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177 - 179°C
• Hydrophobicity(logP): 2.921

Product Information

• Purity: 95%