N-(2-methylphenyl)acetamide

• ChemBase ID: 89200
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: N(c1c(cccc1)C)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccccc1C
• InChI: InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
• InChIKey: BPEXTIMJLDWDTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylphenyl)acetamide
• IUPAC Traditional name: acetamide, N-(2-methylphenyl)-
• Synonyms: N-(2-Methylphenyl)acetamide; 2-Acetamidotoluene; 2'-Methylacetanilide 98+%; O-ACETOTOLUIDIDE; o-Methylacetanilide; 2-Methylacetanilide; N-ACETYL-o-TOLUIDINE; N-(o-Tolyl)acetamide; 2'-Methylacetanilide; 2'-甲基乙酰苯胺

Database IDs

• CAS Number: 120-66-1
• EC Number: 204-414-4
• MDL Number: MFCD00014961
• Beilstein Number: 2207054
• Merck Index: 1474
• PubChem SID: 162076083
• PubChem CID: 8443

CALCULATED PROPERTIES

• Acid pKa: 14.542734
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7243775
• LogD (pH = 7.4): 1.7243775
• Log P: 1.7243776
• Molar Refractivity: 45.9622 cm^3
• Polarizability: 16.972685 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109-110°C; 109-112°C
• Boiling Point: 296°C; 296°C
• Density: 1.16; 1.160

Safety Information

• Storage Warning: Harmful/Irritant
• RTECS: AN2900000
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 98+%

DETAILS

MP Biomedicals - 05212413

MP Biomedicals Rare Chemical collection