2-(4-Nitrophenyl)ethylamine hydrochloride

C₈H₁₁ClN₂O₂CAS 29968-78-3202.64 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₈H₁₁ClN₂O₂
Molar mass: 202.64 g/mol
Exact mass: 202.0509 Da
Melting point: 209–210 °C
logP: 1.52Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

29968-78-3

SMILES

Cl.NCCc1ccc([N+](=O)[O-])cc1

InChIKey

JVMHULJEYUQYSH-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O2.ClH/c9-6-5-7-1-3-8(4-2-7)10(11)12;/h1-4H,5-6,9H2;1H

Weigh it out

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

Names and synonyms

10 names

Benzeneethanamine, 4-nitro-, hydrochloride (1:1)
Benzeneethanamine, 4-nitro-, monohydrochloride
Phenethylamine, p-nitro-, monohydrochloride
p-Nitrophenethylamine hydrochloride
4-Nitrophenethylamine hydrochloride
β-(p-Nitrophenyl)ethylamine hydrochloride
4-Nitrobenzeneethanamine monohydrochloride
2-(4-Nitrophenyl)ethanamine hydrochloride
p-Nitrophenylethylamine hydrochloride
2-(4-Nitrophenyl)ethan-1-amine hydrochloride

Work with 2-(4-Nitrophenyl)ethylamine 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

p-Nitrobenzylamine hydrochloride18600-42-572 % similar N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-161 % similar O-(p-Nitrobenzyl)hydroxylamine hydrochloride2086-26-261 % similar 2-(4-Nitrophenyl)ethanol100-27-656 % similar 4-Nitrophenethyl bromide5339-26-456 % similar p-Nitrophenylhydrazine hydrochloride636-99-754 % similar α-Amino-p-nitroacetophenone hydrochloride5425-81-054 % similar 1-Ethyl-4-nitrobenzene100-12-953 % similar

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

Elsewhere

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