N,2-dimethylaniline hydrochloride

• ChemBase ID: 293240
• Molecular Formular: C8H12ClN
• Molecular Mass: 157.64058
• Monoisotopic Mass: 157.06582707
• SMILES: Cc1ccccc1NC.Cl
• Canonical SMILES: CNc1ccccc1C.Cl
• InChI: InChI=1S/C8H11N.ClH/c1-7-5-3-4-6-8(7)9-2;/h3-6,9H,1-2H3;1H
• InChIKey: UNLGXHLMMSXFBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethylaniline hydrochloride
• IUPAC Traditional name: N-methyl-O-toluidine hydrochloride
• Synonyms: N,2-Dimethylaniline hydrochloride

Database IDs

• CAS Number: 10541-29-4
• MDL Number: MFCD12913957
• PubChem SID: 180678771
• PubChem CID: 82714

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9052699
• LogD (pH = 7.4): 1.9587193
• Log P: 1.9594454
• Molar Refractivity: 41.293 cm^3
• Polarizability: 15.109564 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%