N-(4-aminophenyl)-N-methylacetamide

• ChemBase ID: 40177
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: N(C(=O)C)(c1ccc(N)cc1)C
• Canonical SMILES: CN(c1ccc(cc1)N)C(=O)C
• InChI: InChI=1S/C9H12N2O/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3
• InChIKey: QFELUFGHFLYZEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-N-methylacetamide
• IUPAC Traditional name: N-(4-aminophenyl)-N-methylacetamide
• Synonyms: N1-(4-Aminophenyl)-N1-methylacetamide; N-(4-Aminophenyl)-N-methylacetamide; 4′-Amino-N-methylacetanilide; 4′-氨基-N-甲基乙酰苯胺

Database IDs

• CAS Number: 119-63-1
• EC Number: 204-339-7
• MDL Number: MFCD00007859
• PubChem SID: 162044940
• PubChem CID: 67068

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.23249553
• LogD (pH = 7.4): 0.24592237
• Log P: 0.2460963
• Molar Refractivity: 48.7373 cm^3
• Polarizability: 18.185398 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70 - 71 °C; 70-71°C; 72 - 74°C
• Hydrophobicity(logP): -0.12

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >95%; 95%; 97%
• Grade: technical grade
• Empirical Formula (Hill Notation): C9H12N2O