chempirical

4-Nitrobenzamidine hydrochloride

C7H8ClN3O2CAS 15723-90-7201.61 g/mol

Open in Covalent MOL file
HClHNH2NN+OO−
AmidineNitro

Properties

Molecular formula
C7H8ClN3O2
Molar mass
201.61 g/mol
Exact mass
201.0305 Da
Melting point
290.6–293.6 °C (decomposes)
logP
1.30Crippen estimate
Polar surface area
93.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
15723-90-7
SMILES
Cl.N=C(N)c1ccc([N+](=O)[O-])cc1
InChIKey
CJXJAUKCHHAJQN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3O2.ClH/c8-7(9)5-1-3-6(4-2-5)10(11)12;/h1-4H,(H3,8,9);1H

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Names and synonyms

8 names
  • Benzenecarboximidamide, 4-nitro-, hydrochloride (1:1)
  • Benzamidine, p-nitro-, monohydrochloride
  • Benzenecarboximidamide, 4-nitro-, monohydrochloride
  • Benzamidine, p-nitro-, hydrochloride
  • p-Nitrobenzamidine monohydrochloride
  • p-Nitrobenzamidine hydrochloride
  • 4-Nitrophenylamidine hydrochloride
  • 4-Nitrobenzimidamide hydrochloride

Work with 4-Nitrobenzamidine hydrochloride

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-Nitrobenzamide619-80-757 % similar α-Amino-p-nitroacetophenone hydrochloride5425-81-055 % similar p-Aminobenzamidine dihydrochloride2498-50-251 % similar p-Nitrophenylhydrazine hydrochloride636-99-751 % similar 1,4-Dinitrobenzene100-25-450 % similar 4-Chlorobenzamidine hydrochloride14401-51-550 % similar Benzamidine hydrochloride1670-14-050 % similar p-Nitrobenzylamine hydrochloride18600-42-550 % similar

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

Elsewhere

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