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2-Nitrophenethylamine hydrochloride - ≥97%, high purity , CAS No.861337-74-8

COA

Grade & Purity:

≥97%

Cas Number: 861337-74-8
EC Number: 809-527-8
PubChem CID: 53407639

In stock

Item Number

N733500

Grouped product items
SKU	Size	Availability	Price	Qty
N733500-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$338.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Phenethylamines Nitroaromatic compounds 2-arylethylamines Aralkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Phenethylamine - Nitroaromatic compound - 2-arylethylamine - Aralkylamine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Primary aliphatic amine - Primary amine - Organopnictogen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic salt - Organic oxide - Hydrochloride - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(2-nitrophenyl)ethanamine;hydrochloride
INCHI	InChI=1S/C8H10N2O2.ClH/c9-6-5-7-3-1-2-4-8(7)10(11)12;/h1-4H,5-6,9H2;1H
InChIKey	WOSOJVABEIZQDC-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)CCN)[N+](=O)[O-].Cl
Isomeric SMILES	C1=CC=C(C(=C1)CCN)[N+](=O)[O-].Cl
Alternate CAS	861337-74-8
PubChem CID	53407639

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	202.640 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	202.051 Da
Monoisotopic Mass	202.051 Da
Topological Polar Surface Area	71.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	156.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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