(2-methoxy-4-nitrophenyl)hydrazine dihydrochloride

• ChemBase ID: 265700
• Molecular Formular: C7H11Cl2N3O3
• Molecular Mass: 256.08654
• Monoisotopic Mass: 255.01774659
• SMILES: [N+](=O)(c1cc(c(cc1)NN)OC)[O-].Cl.Cl
• Canonical SMILES: COc1cc(ccc1NN)[N+](=O)[O-].Cl.Cl
• InChI: InChI=1S/C7H9N3O3.2ClH/c1-13-7-4-5(10(11)12)2-3-6(7)9-8;;/h2-4,9H,8H2,1H3;2*1H
• InChIKey: DERHIPUIOUKEEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxy-4-nitrophenyl)hydrazine dihydrochloride
• IUPAC Traditional name: (2-methoxy-4-nitrophenyl)hydrazine dihydrochloride
• Synonyms: (2-methoxy-4-nitrophenyl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD14705827
• PubChem SID: 164321610
• PubChem CID: 47002487

CALCULATED PROPERTIES

• Acid pKa: 15.869589
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.0947561
• LogD (pH = 7.4): 1.1464059
• Log P: 1.1472013
• Molar Refractivity: 49.5526 cm^3
• Polarizability: 17.345999 Å^3
• Polar Surface Area: 93.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): 1.729

Product Information

• Purity: 95%