chempirical

p-Nitrobenzylamine hydrochloride

C7H9ClN2O2CAS 18600-42-5188.61 g/mol

Open in Covalent MOL file
HClH2NN+OO−
NitroPrimary amine

Properties

Molecular formula
C7H9ClN2O2
Molar mass
188.61 g/mol
Exact mass
188.0353 Da
Melting point
225 °C
logP
1.48Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
18600-42-5
SMILES
Cl.NCc1ccc([N+](=O)[O-])cc1
InChIKey
SMIXZZMSWYOQPW-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2.ClH/c8-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H

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Names and synonyms

7 names
  • Benzenemethanamine, 4-nitro-, hydrochloride (1:1)
  • Benzylamine, p-nitro-, monohydrochloride
  • Benzenemethanamine, 4-nitro-, monohydrochloride
  • Benzylamine, p-nitro-, hydrochloride
  • 4-Nitrobenzylamine hydrochloride
  • 4-Nitrobenzenemethanamine hydrochloride
  • (4-Nitrophenyl)methanamine hydrochloride

Work with p-Nitrobenzylamine 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

2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-372 % similar O-(p-Nitrobenzyl)hydroxylamine hydrochloride2086-26-263 % similar N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-158 % similar p-Nitrophenylhydrazine hydrochloride636-99-756 % similar α-Amino-p-nitroacetophenone hydrochloride5425-81-055 % similar 1-Ethyl-4-nitrobenzene100-12-955 % similar 4-Nitrobenzyl chloride100-14-155 % similar 2-(4-Nitrophenyl)ethanol100-27-653 % similar

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

Same formula

2-(Chloromethyl)-4,6-dimethoxypyrimidine114108-86-0 4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid127892-62-0 p-Hydrazinobenzoic acid hydrochloride24589-77-3 3-Nitrobenzylamine monohydrochloride26177-43-5 2-Carboxyphenylhydrazine hydrochloride52356-01-1

Elsewhere

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