N-(4-Nitrophenethyl)-N-methylamine hydrochloride

C₉H₁₃ClN₂O₂CAS 166943-39-1216.66 g/mol

Open in Covalent MOL file

Nitro Secondary amine

Properties

Molecular formula: C₉H₁₃ClN₂O₂
Molar mass: 216.66 g/mol
Exact mass: 216.0666 Da
logP: 1.78Crippen estimate
Polar surface area: 55.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

166943-39-1

SMILES

CNCCc1ccc([N+](=O)[O-])cc1.Cl

InChIKey

VGJDSNZOPPZCTB-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N2O2.ClH/c1-10-7-6-8-2-4-9(5-3-8)11(12)13;/h2-5,10H,6-7H2,1H3;1H

Weigh it out

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

Names and synonyms

4 names

Benzeneethanamine, N-methyl-4-nitro-, hydrochloride (1:1)
Benzeneethanamine, N-methyl-4-nitro-, monohydrochloride
N-Methyl-4-nitrobenzeneethanamine hydrochloride
N-Methyl-p-nitrophenethylamine hydrochloride

Work with N-(4-Nitrophenethyl)-N-methylamine 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 hydrochloride29968-78-361 % similar Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)68133-98-260 % similar p-Nitrobenzylamine hydrochloride18600-42-558 % similar 1-Ethyl-4-nitrobenzene100-12-954 % similar O-(p-Nitrobenzyl)hydroxylamine hydrochloride2086-26-254 % similar 2-(4-Nitrophenyl)ethanol100-27-653 % similar N-Methyltyramine hydrochloride13062-76-553 % similar 4-Nitrophenethyl bromide5339-26-453 % similar

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

Same formula

1-(2-Furanylcarbonyl)piperazine hydrochloride60548-09-6 L-Phenylalanine, 4-amino-, hydrochloride (1:1)62040-55-5

Elsewhere

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