3-chloro-N,4-dimethylaniline

• ChemBase ID: 274276
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: c1(cc(NC)ccc1C)Cl
• Canonical SMILES: CNc1ccc(c(c1)Cl)C
• InChI: InChI=1S/C8H10ClN/c1-6-3-4-7(10-2)5-8(6)9/h3-5,10H,1-2H3
• InChIKey: JDGUVFZDTYKQJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N,4-dimethylaniline
• IUPAC Traditional name: 3-chloro-N,4-dimethylaniline
• Synonyms: 3-chloro-N,4-dimethylaniline

Database IDs

• MDL Number: MFCD11040458
• PubChem SID: 164330186
• PubChem CID: 20616113

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5009851
• LogD (pH = 7.4): 2.5626442
• Log P: 2.56349
• Molar Refractivity: 46.0978 cm^3
• Polarizability: 16.932777 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30 - 32°C
• Hydrophobicity(logP): 3.155

Product Information

• Purity: 95%