chempirical

7-Benzylamino-4-nitro-2,1,3-benzoxadiazole

C13H10N4O3CAS 18378-20-6270.25 g/mol

Open in Covalent MOL file
ON+O−NHNON
NitroSecondary amine

Properties

Molecular formula
C13H10N4O3
Molar mass
270.25 g/mol
Exact mass
270.0753 Da
Melting point
214–215 °C
logP
2.74Crippen estimate
Polar surface area
94.1 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Identifiers

CAS number
18378-20-6
SMILES
O=[N+]([O-])c1ccc(NCc2ccccc2)c2nonc12
InChIKey
GZFKJMWBKTUNJS-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N4O3/c18-17(19)11-7-6-10(12-13(11)16-20-15-12)14-8-9-4-2-1-3-5-9/h1-7,14H,8H2

Weigh it out

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Names and synonyms

6 names
  • 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N-(phenylmethyl)-
  • Benzofurazan, 4-(benzylamino)-7-nitro-
  • 4-Benzofurazanamine, 7-nitro-N-(phenylmethyl)-
  • 7-Nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-4-amine
  • NSC 240867
  • N-Benzyl-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine

Work with 7-Benzylamino-4-nitro-2,1,3-benzoxadiazole

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

Hc yellow 24926-55-040 % similar 2-Nitrodiphenylamine119-75-538 % similar o-Nitrophenylhydrazine hydrochloride6293-87-437 % similar 1,2-Dinitrobenzene528-29-037 % similar 2,4-Dinitrodiphenylamine961-68-237 % similar (2-Nitrophenyl)hydrazine3034-19-336 % similar 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-935 % similar N-Methyl-2-nitrobenzenamine612-28-235 % similar

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

Elsewhere

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