4-chloro-N,N-diethylaniline

• ChemBase ID: 78265
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: N(c1ccc(cc1)Cl)(CC)CC
• Canonical SMILES: CCN(c1ccc(cc1)Cl)CC
• InChI: InChI=1S/C10H14ClN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
• InChIKey: LVIXJLIXKMZERD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N,N-diethylaniline
• IUPAC Traditional name: 4-chloro-N,N-diethylaniline
• Synonyms: N-(4-Chlorophenyl)-N,N-diethylamine; 4-Chloro-N,N-diethylaniline

Database IDs

• CAS Number: 2873-89-4
• PubChem SID: 162043049
• PubChem CID: 137748

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2545424
• LogD (pH = 7.4): 3.3967981
• Log P: 3.3989503
• Molar Refractivity: 54.7886 cm^3
• Polarizability: 20.683416 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Harmful