3,4-diethylaniline

• ChemBase ID: 245958
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(c(ccc(c1)N)CC)CC
• Canonical SMILES: CCc1cc(N)ccc1CC
• InChI: InChI=1S/C10H15N/c1-3-8-5-6-10(11)7-9(8)4-2/h5-7H,3-4,11H2,1-2H3
• InChIKey: JAKHLQNEMUMGKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18971287
• PubChem SID: 164301868
• PubChem CID: 22338950

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

• Hydrophobicity(logP): 2.921

Product Information

• Purity: 95%