3-amino-5-nitrobenzohydrazide

• ChemBase ID: 233071
• Molecular Formular: C7H8N4O3
• Molecular Mass: 196.16342
• Monoisotopic Mass: 196.05964014
• SMILES: [N+](=O)(c1cc(C(=O)NN)cc(c1)N)[O-]
• Canonical SMILES: NNC(=O)c1cc(N)cc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C7H8N4O3/c8-5-1-4(7(12)10-9)2-6(3-5)11(13)14/h1-3H,8-9H2,(H,10,12)
• InChIKey: UPGOATGNVSQRAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-nitrobenzohydrazide
• IUPAC Traditional name: 3-amino-5-nitrobenzohydrazide
• Synonyms: 3-amino-5-nitrobenzohydrazide

Database IDs

• MDL Number: MFCD00017070
• PubChem SID: 164288981
• PubChem CID: 3740825

CALCULATED PROPERTIES

• Acid pKa: 13.465166
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.36233568
• LogD (pH = 7.4): -0.3615418
• Log P: -0.36153135
• Molar Refractivity: 51.6456 cm^3
• Polarizability: 17.724205 Å^3
• Polar Surface Area: 126.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 227 - 229°C
• Hydrophobicity(logP): -0.413

Product Information

• Purity: 95%