2-methoxy-4-methylaniline hydrochloride

• ChemBase ID: 19884
• Molecular Formular: C8H12ClNO
• Molecular Mass: 173.63998
• Monoisotopic Mass: 173.06074169
• SMILES: c1(c(ccc(c1)C)N)OC.Cl
• Canonical SMILES: COc1cc(C)ccc1N.Cl
• InChI: InChI=1S/C8H11NO.ClH/c1-6-3-4-7(9)8(5-6)10-2;/h3-5H,9H2,1-2H3;1H
• InChIKey: QMXZGEQAGKDYLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-methylaniline hydrochloride
• IUPAC Traditional name: 2-methoxy-4-methylaniline hydrochloride
• Synonyms: 2-Methoxy-4-methylaniline hydrochloride

Database IDs

• MDL Number: MFCD09878311
• PubChem SID: 160983191
• PubChem CID: 44118631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4185742
• LogD (pH = 7.4): 1.4989415
• Log P: 1.50007
• Molar Refractivity: 42.2628 cm^3
• Polarizability: 15.752074 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 235 - 237°C
• Hydrophobicity(logP): 1.683

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%