2-methoxy-6-methylaniline

• ChemBase ID: 144892
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: Cc1cccc(c1N)OC
• Canonical SMILES: COc1cccc(c1N)C
• InChI: InChI=1S/C8H11NO/c1-6-4-3-5-7(10-2)8(6)9/h3-5H,9H2,1-2H3
• InChIKey: HKOJYPPTIPJZAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-methylaniline
• IUPAC Traditional name: 2-methoxy-6-methylaniline
• Synonyms: 6-Methyl-o-anisidine; 2-Methoxy-6-methylaniline; 2-Methoxy-6-methylaniline; 2-methoxy-6-methylphenylamine; 6-甲基-邻茴香胺; 2-甲氧基-6-甲基苯胺

Database IDs

• CAS Number: 50868-73-0
• MDL Number: MFCD00075455
• PubChem SID: 162239104; 24862144
• PubChem CID: 459249

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4723964
• LogD (pH = 7.4): 1.4997103
• Log P: 1.50007
• Molar Refractivity: 42.2628 cm^3
• Polarizability: 15.752966 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26-29 °C(lit.)
• Boiling Point: 62 °C/0.15 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• 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: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: CH3OC6H3(CH3)NH2

DETAILS

Sigma Aldrich - 360090

Packaging
5, 25, 100 g in glass bottle