3-chloro-N,4-dimethylaniline hydrochloride

• ChemBase ID: 797327
• Molecular Formular: C8H11Cl2N
• Molecular Mass: 192.08564
• Monoisotopic Mass: 191.02685472
• SMILES: Cl.N(c1cc(c(cc1)C)Cl)C
• Canonical SMILES: CNc1ccc(c(c1)Cl)C.Cl
• InChI: InChI=1S/C8H10ClN.ClH/c1-6-3-4-7(10-2)5-8(6)9;/h3-5,10H,1-2H3;1H
• InChIKey: JTRCDUNWCCVQPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 7745-94-0

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

Product Information

• Purity: 97%