4-methoxy-N-methylaniline

• ChemBase ID: 151545
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: CNc1ccc(cc1)OC
• Canonical SMILES: CNc1ccc(cc1)OC
• InChI: InChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3
• InChIKey: JFXDIXYFXDOZIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-methylaniline
• IUPAC Traditional name: 4-methoxy-N-methylaniline
• Synonyms: N-Methyl-p-anisidine; 4-Methoxy-N-methylaniline; N-甲基-对茴香胺; 4-甲氧基-N-甲基苯胺

Database IDs

• CAS Number: 5961-59-1
• EC Number: 227-735-1
• MDL Number: MFCD00008399
• Beilstein Number: 774640
• PubChem SID: 24850845; 162245698
• PubChem CID: 22250

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.86459225
• LogD (pH = 7.4): 1.2793665
• Log P: 1.2883527
• Molar Refractivity: 42.715 cm^3
• Polarizability: 15.828431 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33-36 °C(lit.)
• Boiling Point: 135-136 °C/19 mmHg(lit.)
• Flash Point: 110 °C; 230 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: CH3OC6H4NHCH3

DETAILS

Sigma Aldrich - 180033

Packaging
1, 10 g in glass bottle