[(4-nitrophenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 258227
• Molecular Formular: C7H10ClN3O2
• Molecular Mass: 203.6262
• Monoisotopic Mass: 203.04615426
• SMILES: [N+](=O)(c1ccc(cc1)CNN)[O-].Cl
• Canonical SMILES: NNCc1ccc(cc1)[N+](=O)[O-].Cl
• InChI: InChI=1S/C7H9N3O2.ClH/c8-9-5-6-1-3-7(4-2-6)10(11)12;/h1-4,9H,5,8H2;1H
• InChIKey: QWLXBTBPWWGVKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-nitrophenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(4-nitrophenyl)methyl]hydrazine hydrochloride
• Synonyms: (4-nitrobenzyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD11857781
• PubChem SID: 164314137
• PubChem CID: 42943448

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6958081
• LogD (pH = 7.4): 0.85194016
• Log P: 0.85434306
• Molar Refractivity: 56.833 cm^3
• Polarizability: 16.895115 Å^3
• Polar Surface Area: 83.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 0.447

Product Information

• Purity: 95%