2-methoxy-5-methylaniline

• ChemBase ID: 19804
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(c(ccc(c1)C)OC)N
• Canonical SMILES: COc1ccc(cc1N)C
• InChI: InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
• InChIKey: WXWCDTXEKCVRRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-methylaniline
• IUPAC Traditional name: para-cresidine
• Synonyms: 2-Methoxy-5-methylaniline; 5-Methyl-o-anisidine; 6-Methoxy-m-toluidine; p-Cresidine; 2-Methoxy-5-methylaniline; Para-Cresidine; 5-甲基-邻茴香胺; 6-甲氧基-间甲苯胺; 对甲酚定; 2-甲氧基-5-甲基苯胺

Database IDs

• CAS Number: 120-71-8
• EC Number: 204-419-1
• MDL Number: MFCD00007815
• Beilstein Number: 637071
• PubChem SID: 24869810; 24884320; 160983111; 24846603
• PubChem CID: 8445
• Chemspider ID: 13869579
• KEGG ID: C19216
• Wikipedia Title: Para-Cresidine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4448588
• LogD (pH = 7.4): 1.4993289
• Log P: 1.50007
• Molar Refractivity: 42.2628 cm^3
• Polarizability: 15.752288 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White crystals
• Melting Point: 50-52 °C(lit.); 51.5°C
• Boiling Point: 235 °C(lit.); 235°C
• Flash Point: 110 °C; 230 °F
• Vapor Density: 4.7 (vs air)

Safety Information

• Storage Warning: IRRITANT
• RTECS: BZ6720000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-22
• Safety Statements: 53-45
• TSCA Listed: false
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H319-H350
• GHS Precautionary statements: P201-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: ≥97.0% (GC); 95+%; 99%
• Grade: analytical standard, for environmental analysis; technical
• Linear Formula: CH3OC6H3(CH3)NH2

DETAILS

Sigma Aldrich - 103284

Packaging
100, 500 g in glass bottle