2-[(3-nitrophenyl)amino]acetohydrazide

• ChemBase ID: 44202
• Molecular Formular: C8H10N4O3
• Molecular Mass: 210.19
• Monoisotopic Mass: 210.0752902
• SMILES: c1(cccc(c1)NCC(=O)NN)[N+](=O)[O-]
• Canonical SMILES: NNC(=O)CNc1cccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C8H10N4O3/c9-11-8(13)5-10-6-2-1-3-7(4-6)12(14)15/h1-4,10H,5,9H2,(H,11,13)
• InChIKey: ZJLQXOCLNXQNPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-nitrophenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(3-nitrophenyl)amino]acetohydrazide
• Synonyms: 2-(3-Nitroanilino)acetohydrazide; 2-(3-Nitroanilino)acetohydrazide; N-(3-Nitrophenyl)glycinehydrazide

Database IDs

• CAS Number: 36107-14-9
• MDL Number: MFCD00098697
• PubChem SID: 162048965
• PubChem CID: 456796

CALCULATED PROPERTIES

• Acid pKa: 11.634329
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.24049802
• LogD (pH = 7.4): -0.23946323
• Log P: -0.23942687
• Molar Refractivity: 55.9674 cm^3
• Polarizability: 19.745012 Å^3
• Polar Surface Area: 112.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%