N-methyl-2-phenylaniline hydrochloride

• ChemBase ID: 264103
• Molecular Formular: C13H14ClN
• Molecular Mass: 219.70996
• Monoisotopic Mass: 219.08147713
• SMILES: c1(c(NC)cccc1)c1ccccc1.Cl
• Canonical SMILES: CNc1ccccc1c1ccccc1.Cl
• InChI: InChI=1S/C13H13N.ClH/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;/h2-10,14H,1H3;1H
• InChIKey: VTOBHKVODUPBPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-phenylaniline hydrochloride
• IUPAC Traditional name: N-methyl-2-phenylaniline hydrochloride
• Synonyms: N-methyl-2-phenylaniline hydrochloride

Database IDs

• MDL Number: MFCD13196244
• PubChem SID: 164320013
• PubChem CID: 45792488

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.070926
• LogD (pH = 7.4): 3.092961
• Log P: 3.0932493
• Molar Refractivity: 61.388 cm^3
• Polarizability: 24.443628 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 3.529

Product Information

• Purity: 95%