4-Nitrophenylethylamine hydrobromide

C₈H₁₁BrN₂O₂CAS 69447-84-3247.09 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₈H₁₁BrN₂O₂
Molar mass: 247.09 g/mol
Exact mass: 246.0004 Da
logP: 1.67Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

69447-84-3

SMILES

C1=CC(=CC=C1CCN)[N+](=O)[O-].Br

InChIKey

IXEDXMYYHOYVRD-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

2-(4-Nitrophenyl)ethan-1-amine hydrobromide

Work with 4-Nitrophenylethylamine hydrobromide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-3Salt

Similar compounds

1,2-Bis(4-nitrophenyl)ethane736-30-166 % similar p-Nitrobenzylamine hydrochloride18600-42-557 % similar 2-(4-Nitrophenyl)ethanol100-27-656 % similar 4-Nitrophenethyl bromide5339-26-456 % similar 1,4-Dinitrobenzene100-25-454 % similar 4-Nitrobenzyl bromide100-11-853 % similar 1-Ethyl-4-nitrobenzene100-12-953 % similar 4-Nitrobenzyl chloride100-14-153 % similar

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

Same formula

1-Boc-4-bromopyrazole1150271-23-0

Elsewhere

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