N,4-dimethylaniline hydrochloride

• ChemBase ID: 293244
• Molecular Formular: C8H12ClN
• Molecular Mass: 157.64058
• Monoisotopic Mass: 157.06582707
• SMILES: Cc1ccc(cc1)NC.Cl
• Canonical SMILES: CNc1ccc(cc1)C.Cl
• InChI: InChI=1S/C8H11N.ClH/c1-7-3-5-8(9-2)6-4-7;/h3-6,9H,1-2H3;1H
• InChIKey: ZRJNYPNQRUQREW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethylaniline hydrochloride
• IUPAC Traditional name: N-methyl P-toluidine hydrochloride
• Synonyms: N,4-Dimethylaniline hydrochloride

Database IDs

• CAS Number: 2739-05-1
• MDL Number: MFCD12913958
• PubChem SID: 180678775
• PubChem CID: 12266143

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8098102
• LogD (pH = 7.4): 1.9571996
• Log P: 1.9594454
• Molar Refractivity: 41.293 cm^3
• Polarizability: 15.108622 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%