2-chloro-N-methylaniline hydrochloride

• ChemBase ID: 293245
• Molecular Formular: C7H9Cl2N
• Molecular Mass: 178.05906
• Monoisotopic Mass: 177.01120465
• SMILES: CNc1ccccc1Cl.Cl
• Canonical SMILES: CNc1ccccc1Cl.Cl
• InChI: InChI=1S/C7H8ClN.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5,9H,1H3;1H
• InChIKey: BAICYTXRERVYMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-methylaniline hydrochloride
• IUPAC Traditional name: 2-chloro-N-methylaniline hydrochloride
• Synonyms: 2-Chloro-N-methylaniline hydrochloride

Database IDs

• CAS Number: 1187385-64-3
• MDL Number: MFCD12756437
• PubChem SID: 180678776
• PubChem CID: 46739562

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0456507
• LogD (pH = 7.4): 2.0500128
• Log P: 2.0500686
• Molar Refractivity: 41.0566 cm^3
• Polarizability: 15.172388 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%