3,4-dichloro-N-methylaniline hydrochloride

• ChemBase ID: 293246
• Molecular Formular: C7H8Cl3N
• Molecular Mass: 212.50412
• Monoisotopic Mass: 210.9722323
• SMILES: CNc1ccc(Cl)c(Cl)c1.Cl
• Canonical SMILES: CNc1ccc(c(c1)Cl)Cl.Cl
• InChI: InChI=1S/C7H7Cl2N.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4,10H,1H3;1H
• InChIKey: IMDYJMDUDLJMAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-N-methylaniline hydrochloride
• IUPAC Traditional name: 3,4-dichloro-N-methylaniline hydrochloride
• Synonyms: 3,4-Dichloro-N-methylaniline hydrochloride

Database IDs

• CAS Number: 1187385-65-4
• MDL Number: MFCD12913955
• PubChem SID: 180678777
• PubChem CID: 46739566

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6408923
• LogD (pH = 7.4): 2.6539443
• Log P: 2.6541133
• Molar Refractivity: 45.8614 cm^3
• Polarizability: 17.08538 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%