N-(4-aminophenyl)acetamide

• ChemBase ID: 23529
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=O)(Nc1ccc(N)cc1)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)N
• InChI: InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
• InChIKey: CHMBIJAOCISYEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)acetamide
• IUPAC Traditional name: P-aminoacetanilide
• Synonyms: N1-(4-aminophenyl)acetamide; p-ACETAMINOANILINE; 4-Aminoacetanilide; N-(4-Aminophenyl)acetamide; N-(4-Aminophenyl)acetamide; N-Acetyl-p-phenylenediamine; 4′-Aminoacetanilide; 4-Acetamidoaniline; N-Acetyl-1,4-phenylenediamine; 4'-Aminoacetanilide; 4-氨基乙酰苯胺; N-(4-氨基苯基)乙酰胺; N-乙酰基对苯二胺; 4′-氨基乙酰苯胺; 4-乙酰氨基-苯胺盐酸盐

Database IDs

• CAS Number: 122-80-5
• EC Number: 204-576-6
• MDL Number: MFCD00007853
• Beilstein Number: 742888
• Merck Index: 14411
• PubChem SID: 160986836; 24845940; 24846417
• PubChem CID: 31230

CALCULATED PROPERTIES

• Acid pKa: 16.15776
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.36735225
• LogD (pH = 7.4): 0.3818423
• Log P: 0.38203022
• Molar Refractivity: 45.6214 cm^3
• Polarizability: 16.345066 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161-164°C; 162-164 °C; 164-167 °C(lit.)
• Boiling Point: 267°C
• Flash Point: 150 °C; 195°C(383°F); 302 °F

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• RTECS: AD8225000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 36/37/38; 36-42/43; R:36/37/38
• Safety Statements: 22-26-36/37; 26-37; S:20-25-26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H319-H335-H303; H317-H319-H334
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98.5% (NT); 97%; 98+%; 99%
• Grade: puriss.
• Linear Formula: CH3CONHC6H4NH2
• Empirical Formula (Hill Notation): C8H10N2O

DETAILS

MP Biomedicals - 05211390

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 100528

Packaging
100 g in glass bottle