chempirical

Cupferron

C6H9N3O2CAS 135-20-6155.16 g/mol

Open in Covalent MOL file
NH3ONNHO
Tertiary amine

Properties

Molecular formula
C6H9N3O2
Molar mass
155.16 g/mol
Exact mass
155.0695 Da
Melting point
163–164 °C
logP
1.73Crippen estimate
Polar surface area
87.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
135-20-6
SMILES
N.O=NN(O)c1ccccc1
InChIKey
NJVHCUNZAMFQNA-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3

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Names and synonyms

10 names
  • Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)
  • Hydroxylamine, N-nitroso-N-phenyl-, ammonium salt
  • Benzenamine, N-hydroxy-N-nitroso-, ammonium salt
  • N-Nitroso-N-phenylhydroxylamine ammonium salt
  • N-Nitroso-N-phenylhydroxyamine ammonium salt
  • Kupferron
  • Q 1300
  • N-Nitroso-N-phenylhydroxyamine-ammonium compd.
  • Ammonium N-nitroso-N-phenylhydroxylamine
  • Ammonium N-nitroso-N-phenylhydroxylaminato

Reactions

Work with Cupferron

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Nitrosodiphenylamine86-30-650 % similar Aluminum-N-nitroso-N-phenylhydroxyamine15305-07-442 % similar N-Benzoyl-N-phenylhydroxylamine304-88-133 % similar 4-Phenyl-1,2,4-triazole-3,5-dione4233-33-432 % similar Diphenylformamide607-00-132 % similar Dibenzylhydroxylamine621-07-831 % similar Dibenzylaniline91-73-631 % similar Dimethylaniline121-69-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-0 2-Amino-4,6-dimethoxypyrimidine256642-28-1 2,6-Dimethoxy-4-pyrimidinamine3289-50-7 D-Histidine351-50-8 2-Amino-4,6-dimethoxypyrimidine36315-01-2 Dl-histidine4998-57-6 4-Amino-5,6-dimethoxypyrimidine5018-45-1 6-Amino-1,3-dimethyluracil6642-31-5

Elsewhere

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