N-(3,4-dimethylphenyl)acetamide

• ChemBase ID: 109273
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: CC(=O)Nc1ccc(C)c(C)c1
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)C)C
• InChI: InChI=1S/C10H13NO/c1-7-4-5-10(6-8(7)2)11-9(3)12/h4-6H,1-3H3,(H,11,12)
• InChIKey: UAOIEEWQVAXCFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethylphenyl)acetamide
• IUPAC Traditional name: 3,4-dimethylacetanilide
• Synonyms: N-ACETYL-3,4-XYLIDINE; N-Acetyl-3,4-xylidine; 3',4'-Dimethylacetanilide; N-(3,4-dimethylphenyl)acetamide; 3',4'-二甲基乙酰苯胺

Database IDs

• CAS Number: 2198-54-1
• EC Number: 218-597-3
• MDL Number: MFCD00026137
• Beilstein Number: 387706
• PubChem SID: 162094761
• PubChem CID: 75144

CALCULATED PROPERTIES

• Acid pKa: 14.772201
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.237799
• LogD (pH = 7.4): 2.237799
• Log P: 2.237799
• Molar Refractivity: 51.0034 cm^3
• Polarizability: 18.737259 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96 - 98°C; 96-98°C
• Hydrophobicity(logP): 2.109

Safety Information

• RTECS: AN7500000
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A

Product Information

• Purity: 95%; 98+%

DETAILS

MP Biomedicals - 05210405

MP Biomedicals Rare Chemical collection