N-(2-aminophenyl)acetamide

• ChemBase ID: 34714
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: N(c1c(N)cccc1)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccccc1N
• InChI: InChI=1S/C8H10N2O/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,9H2,1H3,(H,10,11)
• InChIKey: MPXAYYWSDIKNTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)acetamide
• IUPAC Traditional name: N-(2-aminophenyl)acetamide
• Synonyms: 2′-Aminoacetanilide; N-(2-Aminophenyl)acetamide; N-(2-Aminophenyl)acetamide; 2-(Acetamido)aniline; N-Acetylphenylene-1,2-diamine; 2'-Aminoacetanilide; N-Acetyl-1,2-phenylenediamine; 2'-Aminoacetanilide; 2′-氨基乙酰苯胺; 2'-氨基乙酰苯胺

Database IDs

• CAS Number: 34801-09-7
• MDL Number: MFCD00210388
• PubChem SID: 24874710; 160998021
• PubChem CID: 11149

CALCULATED PROPERTIES

• Acid pKa: 14.172653
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.37833905
• LogD (pH = 7.4): 0.3819835
• Log P: 0.38203022
• Molar Refractivity: 45.6214 cm^3
• Polarizability: 16.346733 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133-137 °C(lit.); 133-137°C; 133-137°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 98%
• Linear Formula: CH3CONHC6H4NH2

DETAILS

Sigma Aldrich - 549606

Packaging
5, 25 g in glass bottle