2-amino-N-hydroxybenzamide

• ChemBase ID: 40014
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1(C(=O)NO)c(N)cccc1
• Canonical SMILES: ONC(=O)c1ccccc1N
• InChI: InChI=1S/C7H8N2O2/c8-6-4-2-1-3-5(6)7(10)9-11/h1-4,11H,8H2,(H,9,10)
• InChIKey: VMKPDXOZTSISIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-hydroxybenzamide
• IUPAC Traditional name: benzamide, 2-amino-N-hydroxy-
• Synonyms: 2-Amino-N-hydroxybenzenecarboxamide

Database IDs

• CAS Number: 5623-04-1
• MDL Number: MFCD00456219
• PubChem SID: 162044777
• PubChem CID: 79721

CALCULATED PROPERTIES

• Acid pKa: 9.613103
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.6413197
• LogD (pH = 7.4): 0.6391337
• Log P: 0.6417784
• Molar Refractivity: 41.6014 cm^3
• Polarizability: 14.955369 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143 °C; 141-143°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%