5-methoxy-2-methylaniline

• ChemBase ID: 68810
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: Nc1c(ccc(c1)OC)C
• Canonical SMILES: COc1ccc(c(c1)N)C
• InChI: InChI=1S/C8H11NO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,9H2,1-2H3
• InChIKey: RPJXLEZOFUNGNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-methylaniline
• IUPAC Traditional name: 2-methyl-5-ethoxyaniline
• Synonyms: 6-Methyl-m-anisidine; 5-Methoxy-2-methylaniline; 5-Methoxy-2-methylaniline; 6-甲基-间茴香胺; 5-甲氧基-2-甲基苯胺

Database IDs

• CAS Number: 50868-72-9
• EC Number: 256-816-4
• MDL Number: MFCD00075057
• PubChem SID: 24860317; 162034540
• PubChem CID: 99500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4915235
• LogD (pH = 7.4): 1.4999614
• Log P: 1.50007
• Molar Refractivity: 42.2628 cm^3
• Polarizability: 15.751367 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41 - 43°C; 43-46 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Hydrophobicity(logP): 1.453

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 95+%; 97%
• Linear Formula: CH3OC6H3(CH3)NH2

DETAILS

Sigma Aldrich - 335436

Packaging
1, 5 g in glass bottle