Name: 4-(2-Amino-ethyl)-phenylamine dihydrochloride , CAS No.13078-82-5
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenethylamines
Alternative Parents	Aniline and substituted anilines 2-arylethylamines Aralkylamines Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenethylamine - 2-arylethylamine - Aniline or substituted anilines - Aralkylamine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	209.110 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	208.053 Da
Monoisotopic Mass	208.053 Da
Topological Polar Surface Area	52.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	85.300
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	3

Solution Calculators

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Reviews

Canonical Smiles	C1=CC(=CC=C1CCN)N.Cl.Cl
IUPAC Name	4-(2-aminoethyl)aniline;dihydrochloride
InChIKey	JQVYAXXCWXIJHB-UHFFFAOYSA-N
INCHI	1S/C8H12N2.2ClH/c9-6-5-7-1-3-8(10)4-2-7;;/h1-4H,5-6,9-10H2;2*1H
Isomeric SMILES	C1=CC(=CC=C1CCN)N.Cl.Cl
PubChem CID	44754923
Molecular Weight	209.12

4-(2-Amino-ethyl)-phenylamine dihydrochloride , CAS No.13078-82-5

Specifications