chempirical

4,4'-Dinitrophenylcarbazide

C13H12N6O5CAS 622-69-5332.28 g/mol

Open in Covalent MOL file
NHHNOHNNHN+OO−N+OO−
NitroSecondary amineUrea

Properties

Molecular formula
C13H12N6O5
Molar mass
332.28 g/mol
Exact mass
332.0869 Da
logP
2.16Crippen estimate
Polar surface area
151.5 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
622-69-5
SMILES
C1=CC(=CC=C1NNC(=O)NNC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChIKey
CEMQVKAEUMRRQJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N6O5/c20-13(16-14-9-1-5-11(6-2-9)18(21)22)17-15-10-3-7-12(8-4-10)19(23)24/h1-8,14-15H,(H2,16,17,20)

Weigh it out

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Names and synonyms

1 names
  • 1,5-Bis(4-nitrophenyl)carbohydrazide

Work with 4,4'-Dinitrophenylcarbazide

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

4,4′-Dinitrocarbanilide587-90-669 % similar N-Methyl-4-nitroaniline100-15-258 % similar (4-Nitrophenyl)hydrazine100-16-355 % similar 1,4-Dinitrobenzene100-25-454 % similar 4-Nitrodiphenylamine836-30-651 % similar N-(4-Nitrophenyl)benzamide3393-96-250 % similar p-Nitrophenylhydrazine hydrochloride636-99-750 % similar N-(4-Nitrophenyl)thiourea3696-22-849 % similar

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

Elsewhere

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