4-aminobenzamide

• ChemBase ID: 52253
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: C(=O)(c1ccc(cc1)N)N
• Canonical SMILES: Nc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
• InChIKey: QIKYZXDTTPVVAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminobenzamide
• IUPAC Traditional name: 4-aminobenzamide
• Synonyms: 4-Aminobenzamide; 4-Aminobenzamide; 4-氨基苯甲酰胺

Database IDs

• CAS Number: 2835-68-9
• EC Number: 220-612-3
• MDL Number: MFCD00007999
• Beilstein Number: 2079485
• PubChem SID: 162057016; 24857167
• PubChem CID: 76079

CALCULATED PROPERTIES

• Acid pKa: 15.327932
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.008310033
• LogD (pH = 7.4): -0.005081164
• Log P: -0.0050398437
• Molar Refractivity: 39.8368 cm^3
• Polarizability: 14.302226 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C; 181-183 °C(lit.); 181-183°C; 182-184°C
• Hydrophobicity(logP): -0.252

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 20/22-36/38; 22-36/37/38
• Safety Statements: 26-36/37; 38
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H319-H332
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%; 98+%
• Linear Formula: H2NC6H4CONH2

DETAILS

Sigma Aldrich - 284572

Packaging
25, 100 g in glass bottle