chempirical

O-(p-Nitrobenzyl)hydroxylamine hydrochloride

C7H9ClN2O3CAS 2086-26-2204.61 g/mol

Open in Covalent MOL file
HClH2NON+OO−
NitroPrimary amine

Properties

Molecular formula
C7H9ClN2O3
Molar mass
204.61 g/mol
Exact mass
204.0302 Da
Melting point
190–196 °C
logP
1.41Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
2086-26-2
SMILES
Cl.NOCc1ccc([N+](=O)[O-])cc1
InChIKey
LKCAFSOYOMFQSL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3.ClH/c8-12-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H

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Names and synonyms

7 names
  • Hydroxylamine, O-[(4-nitrophenyl)methyl]-, hydrochloride (1:1)
  • Hydroxylamine, O-[(4-nitrophenyl)methyl]-, monohydrochloride
  • Hydroxylamine, O-(p-nitrobenzyl)-, monohydrochloride
  • Benzyloxyamine, p-nitro-, hydrochloride
  • p-Nitrobenzyloxyamine hydrochloride
  • 4-Nitrobenzyloxyamine hydrochloride
  • O-(4-Nitrobenzyl)hydroxylamine hydrochloride

Work with O-(p-Nitrobenzyl)hydroxylamine 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

p-Nitrobenzylamine hydrochloride18600-42-563 % similar 2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-361 % similar N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-154 % similar p-Nitrophenylhydrazine hydrochloride636-99-751 % similar 4-Nitrobenzyl chloroformate4457-32-351 % similar α-Amino-p-nitroacetophenone hydrochloride5425-81-051 % similar 4-Nitroaniline100-01-650 % similar 1-Ethyl-4-nitrobenzene100-12-950 % similar

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

Same formula

4-Ethyl-2,3-dioxo-1-piperazinecarbonyl chloride59703-00-3 2-Methoxy-5-nitroaniline hydrochloride67827-72-9

Elsewhere

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