(2-methyl-3-nitrophenyl)hydrazine

• ChemBase ID: 269108
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: [N+](=O)(c1c(c(NN)ccc1)C)[O-]
• Canonical SMILES: NNc1cccc(c1C)[N+](=O)[O-]
• InChI: InChI=1S/C7H9N3O2/c1-5-6(9-8)3-2-4-7(5)10(11)12/h2-4,9H,8H2,1H3
• InChIKey: KHZUSEASVVTALS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyl-3-nitrophenyl)hydrazine
• IUPAC Traditional name: (2-methyl-3-nitrophenyl)hydrazine
• Synonyms: (2-methyl-3-nitrophenyl)hydrazine

Database IDs

• MDL Number: MFCD02663158
• PubChem SID: 164325018
• PubChem CID: 4670064

CALCULATED PROPERTIES

• Acid pKa: 19.48817
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6977319
• LogD (pH = 7.4): 1.8165478
• Log P: 1.818294
• Molar Refractivity: 48.1306 cm^3
• Polarizability: 16.549124 Å^3
• Polar Surface Area: 83.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.075

Product Information

• Purity: 95%