N-nitroso-N-phenylhydroxylamine amine

• ChemBase ID: 287147
• Molecular Formular: C6H9N3O2
• Molecular Mass: 155.15456
• Monoisotopic Mass: 155.06947654
• SMILES: O=NN(c1ccccc1)O.N
• Canonical SMILES: O=NN(c1ccccc1)O.N
• InChI: InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3
• InChIKey: NJVHCUNZAMFQNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-nitroso-N-phenylhydroxylamine amine
• IUPAC Traditional name: N-nitroso-N-phenylhydroxylamine amine
• Synonyms: Cupferron

Database IDs

• CAS Number: 135-20-6
• MDL Number: MFCD00078422
• PubChem SID: 180672678
• PubChem CID: 8664

CALCULATED PROPERTIES

• Acid pKa: 8.887525
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4695374
• LogD (pH = 7.4): 1.4558651
• Log P: 1.4697145
• Molar Refractivity: 36.696 cm^3
• Polarizability: 13.147492 Å^3
• Polar Surface Area: 52.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%