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

C9H13ClN2O2CAS 166943-39-1216.66 g/mol

Open in Covalent MOL file
HNN+OO−HCl
NitroSecondary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 29 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

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

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Names and synonyms

5 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
  • N-Methyl-4-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

1,2-Bis(4-nitrophenyl)ethane736-30-161 % similar 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 N-Acetyl-2-(4-nitrophenyl)ethylamine6270-07-155 % similar 1-Ethyl-4-nitrobenzene100-12-954 % similar O-(p-Nitrobenzyl)hydroxylamine hydrochloride2086-26-254 % similar 2-(4-Nitrophenyl)ethanol100-27-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

H-Tyr-nh2 hcl53559-18-5 1-(2-Furanylcarbonyl)piperazine hydrochloride60548-09-6 4-Amino-3-phenyl-L-alanine monohydrochloride62040-55-5

Elsewhere

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