1-methyl-1-(2-nitrophenyl)hydrazine

• ChemBase ID: 81455
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: [N+](=O)(c1ccccc1N(N)C)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccccc1N(N)C
• InChI: InChI=1S/C7H9N3O2/c1-9(8)6-4-2-3-5-7(6)10(11)12/h2-5H,8H2,1H3
• InChIKey: PMEJFNBAOONAFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1-(2-nitrophenyl)hydrazine
• IUPAC Traditional name: 1-methyl-1-(2-nitrophenyl)hydrazine
• Synonyms: 1-methyl-1-(2-nitrophenyl)hydrazine

Database IDs

• CAS Number: 67522-05-8
• MDL Number: MFCD00052400
• PubChem SID: 162068574
• PubChem CID: 2777353

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1787425
• LogD (pH = 7.4): 1.3491197
• Log P: 1.3517888
• Molar Refractivity: 56.8947 cm^3
• Polarizability: 16.622292 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true