3-methoxy-2-methylaniline hydrochloride

• ChemBase ID: 294306
• Molecular Formular: C8H12ClNO
• Molecular Mass: 173.63998
• Monoisotopic Mass: 173.06074169
• SMILES: Nc1cccc(OC)c1C.Cl
• Canonical SMILES: COc1cccc(c1C)N.Cl
• InChI: InChI=1S/C8H11NO.ClH/c1-6-7(9)4-3-5-8(6)10-2;/h3-5H,9H2,1-2H3;1H
• InChIKey: HMYDLKIDPJRLQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-methylaniline hydrochloride
• IUPAC Traditional name: 3-methoxy-2-methylaniline hydrochloride
• Synonyms: 3-Methoxy-2-methylaniline hydrochloride

Database IDs

• CAS Number: 857195-15-4
• MDL Number: MFCD11042289
• PubChem SID: 180679837
• PubChem CID: 52911138

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4876772
• LogD (pH = 7.4): 1.4999117
• Log P: 1.50007
• Molar Refractivity: 42.2628 cm^3
• Polarizability: 15.752799 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%