(2-Nitrophenyl)methanamine hydrochloride

C₇H₉ClN₂O₂CAS 24835-08-3188.61 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₇H₉ClN₂O₂
Molar mass: 188.61 g/mol
Exact mass: 188.0353 Da
logP: 1.48Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 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

24835-08-3

SMILES

C1=CC=C(C(=C1)CN)[N+](=O)[O-].Cl

InChIKey

BASJTVIZZDEQBJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O2.ClH/c8-5-6-3-1-2-4-7(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

1 names

2-Nitrobenzylamine hydrochloride

Work with (2-Nitrophenyl)methanamine 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

2,2′-Dinitrodibenzyl16968-19-763 % similar 2-Nitrobenzyl alcohol612-25-959 % similar 2-Nitrobenzyl bromide3958-60-957 % similar 1-Ethyl-2-nitrobenzene612-22-657 % similar 2-Nitrobenzyl chloride612-23-757 % similar 2-Nitrobenzeneethanol15121-84-354 % similar 2-Nitrobenzeneacetonitrile610-66-254 % similar o-Nitrophenylhydrazine hydrochloride6293-87-454 % 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 3-Nitrobenzylamine monohydrochloride26177-43-5 2-Carboxyphenylhydrazine hydrochloride52356-01-1

Elsewhere

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