4-Nitrophenylethylamine Hydrobromide

CAT: 0127-OR1029306-02Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1029306-02Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

69447-84-3

Synonyms

2- (4-nitrophenyl) ethanamine; hydrobromide

Purity

98%

Smiles

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

Chemical Information

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

CAS Number	69447-84-3
PubChem CID	23453301
IUPAC Name	2-(4-nitrophenyl)ethanamine;hydrobromide
Molecular Formula	C8H11BrN2O2
Molecular Weight	247.09
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	148

SMILES

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

InChI

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

InChIKey

IXEDXMYYHOYVRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69447-84-3

CID: 23453301

Formula: C8H11BrN2O2

MW: 247.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.09
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	246.00039
Monoisotopic Mass	246.00039
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	148
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
OR79296-01	4-Nitrophenylethylamine hydrochloride
PC1008659-01	4-Fluorobenzylamine Hydrobromide
OR49036-01	4-Bromopyridazine hydrobromide
OR55159-01	4-Bromopyrimidine hydrobromide
OR480694-01	4-Bromopiperidine hydrobromide
OR17534	4-Bromonicotinaldehyde hydrobromide
PC109023-01	4-Fluoroaniline Hydrobromide
OR78652-01	4-methylenepiperidine hydrobromide
OR1011126-01	4- (4-Bromobutyl) Morpholine Hydrobromide
OR1038413-01	Pyridin-4-ylmethanol hydrobromide

Catalog	Name
263293-01	4-Bromopyridazine hydrobromide
261888-01	4-Bromopyrimidine hydrobromide
sc-290098A	4-Bromopyridine Hydrobromide
sc-267666	4-Morpholinylformamidine hydrobromide
MBS5799113	4-APC hydrobromide
FA45794-01	4-Aminocatechol hydrobromide
HY-138064	4-APC (hydrobromide)
GTR19274588-01	Nrf2-IN-4 hydrobromide
HY-175209A-01	Nrf2-IN-4 (hydrobromide)
sc-281400	4-Bromophenethylamine hydrobromide