(2-methyl-5-nitrophenyl)hydrazine dihydrochloride

• ChemBase ID: 266099
• Molecular Formular: C7H11Cl2N3O2
• Molecular Mass: 240.08714
• Monoisotopic Mass: 239.02283197
• SMILES: [N+](=O)(c1cc(c(cc1)C)NN)[O-].Cl.Cl
• Canonical SMILES: NNc1cc(ccc1C)[N+](=O)[O-].Cl.Cl
• InChI: InChI=1S/C7H9N3O2.2ClH/c1-5-2-3-6(10(11)12)4-7(5)9-8;;/h2-4,9H,8H2,1H3;2*1H
• InChIKey: JLQZKPBDQDOPIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyl-5-nitrophenyl)hydrazine dihydrochloride
• IUPAC Traditional name: (2-methyl-5-nitrophenyl)hydrazine dihydrochloride
• Synonyms: (2-methyl-5-nitrophenyl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD15209584
• PubChem SID: 164322009
• PubChem CID: 47002583

CALCULATED PROPERTIES

• Acid pKa: 19.173758
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7015558
• LogD (pH = 7.4): 1.8166108
• Log P: 1.818294
• Molar Refractivity: 48.1306 cm^3
• Polarizability: 16.547417 Å^3
• Polar Surface Area: 83.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 2.155

Product Information

• Purity: 95%