2-methoxy-5-phenylaniline hydrochloride

• ChemBase ID: 138564
• Molecular Formular: C13H14ClNO
• Molecular Mass: 235.70936
• Monoisotopic Mass: 235.07639175
• SMILES: COc1ccc(cc1N)c1ccccc1.Cl
• Canonical SMILES: COc1ccc(cc1N)c1ccccc1.Cl
• InChI: InChI=1S/C13H13NO.ClH/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10;/h2-9H,14H2,1H3;1H
• InChIKey: QLWYZBIVFJWGMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-phenylaniline hydrochloride
• IUPAC Traditional name: 2-methoxy-5-phenylaniline hydrochloride
• Synonyms: 4-Methoxy-3-biphenylamine hydrochloride; 5-苯基邻茴香胺 盐酸盐

Database IDs

• CAS Number: 197147-24-3
• MDL Number: MFCD00216598
• PubChem SID: 24867100; 162232818
• PubChem CID: 16212817

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6123538
• LogD (pH = 7.4): 2.6335962
• Log P: 2.633874
• Molar Refractivity: 62.3578 cm^3
• Polarizability: 25.027222 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 227-230 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 99%
• Linear Formula: C6H5C6H3(OCH3)NH2·HCl