2-methoxy-N-methylaniline

• ChemBase ID: 139663
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: CNc1ccccc1OC
• Canonical SMILES: COc1ccccc1NC
• InChI: InChI=1S/C8H11NO/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9H,1-2H3
• InChIKey: KNZWULOUXYKBLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-methylaniline
• IUPAC Traditional name: 2-methoxy-N-methylaniline
• Synonyms: 2-methoxy-N-methylaniline; 2-Methoxy-N-methylaniline; 2-甲氧基-N-甲基苯胺

Database IDs

• CAS Number: 10541-78-3
• MDL Number: MFCD03093822
• PubChem SID: 24882363; 162233911
• PubChem CID: 2759579

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1607009
• LogD (pH = 7.4): 1.2864867
• Log P: 1.2883527
• Molar Refractivity: 42.715 cm^3
• Polarizability: 15.830612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30-34 °C(lit.)
• Flash Point: 208.4 °F; 98 °C
• Hydrophobicity(logP): 1.744

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-43
• Safety Statements: 36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C8H11NO

DETAILS

Sigma Aldrich - 630926

Packaging
1, 5 g in glass bottle