2,3-dichloro-N-methylaniline hydrochloride

• ChemBase ID: 261163
• Molecular Formular: C7H8Cl3N
• Molecular Mass: 212.50412
• Monoisotopic Mass: 210.9722323
• SMILES: c1(c(NC)cccc1Cl)Cl.Cl
• Canonical SMILES: CNc1cccc(c1Cl)Cl.Cl
• InChI: InChI=1S/C7H7Cl2N.ClH/c1-10-6-4-2-3-5(8)7(6)9;/h2-4,10H,1H3;1H
• InChIKey: SUYWPDZIQASUEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-N-methylaniline hydrochloride
• IUPAC Traditional name: 2,3-dichloro-N-methylaniline hydrochloride
• Synonyms: 2,3-dichloro-N-methylaniline hydrochloride

Database IDs

• MDL Number: MFCD12912804
• PubChem SID: 164317073
• PubChem CID: 45791721

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6521926
• LogD (pH = 7.4): 2.654089
• Log P: 2.6541133
• Molar Refractivity: 45.8614 cm^3
• Polarizability: 17.099728 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): 3.355

Product Information

• Purity: 95%