3-Nitrobenzylamine monohydrochloride

C7H9ClN2O2CAS 26177-43-5188.61 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
225–227 °C
logP
1.48Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
26177-43-5
SMILES
Cl.NCc1cccc([N+](=O)[O-])c1
InChIKey
DLZXLCHQWOZGSE-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2.ClH/c8-5-6-2-1-3-7(4-6)9(10)11;/h1-4H,5,8H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzenemethanamine, 3-nitro-, hydrochloride (1:1)
  • Benzylamine, m-nitro-, monohydrochloride
  • Benzenemethanamine, 3-nitro-, monohydrochloride
  • Benzylamine, m-nitro-, hydrochloride
  • 3-Nitrobenzylamine hydrochloride
  • m-Nitrobenzylamine hydrochloride
  • 3-Nitrobenzylammonium chloride
  • 3-Nitrobenzenemethanamine hydrochloride
  • (3-Nitrophenyl)methanamine hydrochloride

Work with 3-Nitrobenzylamine monohydrochloride

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

3-Nitrobenzyl bromide3958-57-459 % similar Alpha-Chloro-m-nitrotoluene619-23-859 % similar 3-Nitrobenzyl alcohol619-25-059 % similar m-Nitrophenylhydrazine hydrochloride636-95-356 % similar 1,3-Dinitrobenzene99-65-056 % similar 3-Nitrophenacylamine hydrochloride36765-84-156 % similar (3-Nitrobenzyl)methylamine19499-61-755 % similar 3-Nitrophenylacetonitrile621-50-155 % 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-Nitrobenzylamine hydrochloride18600-42-5 p-Hydrazinobenzoic acid hydrochloride24589-77-3 (2-Nitrophenyl)methanamine hydrochloride24835-08-3 2-Carboxyphenylhydrazine hydrochloride52356-01-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook