3-methoxy-N,N-dimethylaniline

• ChemBase ID: 86258
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: N(c1cc(ccc1)OC)(C)C
• Canonical SMILES: COc1cccc(c1)N(C)C
• InChI: InChI=1S/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3
• InChIKey: MOYHVSKDHLMMPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N,N-dimethylaniline
• IUPAC Traditional name: 3-methoxy-N,N-dimethylaniline
• Synonyms: 3-(Dimethylamino)anisole; N,N-Dimethyl-m-anisidine; 3-Methoxy-N,N-dimethylaniline; N,N-Dimethyl-3-methoxyaniline; 3-甲氧基-N,N-二甲基苯胺

Database IDs

• CAS Number: 15799-79-8
• MDL Number: MFCD00051779
• Beilstein Number: 1423591
• PubChem SID: 162073374
• PubChem CID: 139977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9130349
• LogD (pH = 7.4): 1.9234836
• Log P: 1.9236184
• Molar Refractivity: 46.9498 cm^3
• Polarizability: 17.6736 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 113-114°C/6mm
• Density: 1.031
• Refractive Index: 1.5590

Safety Information

• European Hazard Symbols: X
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%