4-methoxy-3,5-dimethylaniline

• ChemBase ID: 55955
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(c(cc(cc1C)N)C)OC
• Canonical SMILES: COc1c(C)cc(cc1C)N
• InChI: InChI=1S/C9H13NO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,10H2,1-3H3
• InChIKey: HUPGZEYAAFYLSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3,5-dimethylaniline
• IUPAC Traditional name: 4-methoxy-3,5-dimethylaniline
• Synonyms: (4-Methoxy-3,5-dimethylphenyl)amine; 4-Amino-2,6-dimethylanisole; 4-Methoxy-3,5-xylidine; 3,5-Dimethyl-p-anisidine; 3,5-Dimethyl-4-methoxyaniline 99+%; 4-Methoxy-3,5-dimethylaniline; 4-甲氧基-3,5-二甲基苯胺

Database IDs

• CAS Number: 39785-37-0
• MDL Number: MFCD01907075
• PubChem SID: 162060718
• PubChem CID: 4166097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6421943
• LogD (pH = 7.4): 2.0061097
• Log P: 2.0134914
• Molar Refractivity: 47.304 cm^3
• Polarizability: 17.518406 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62-65°C; 62-65°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H311-H302-H332-H315-H319
• GHS Precautionary statements: P280H-P305+P351+P338-P309-P310

Product Information

• Purity: 98%