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2-(1-Aminoethyl)benzoic acid hydrochloride - ≥95%, high purity , CAS No.658683-12-6

COA

Grade & Purity:

≥95%

Cas Number: 658683-12-6
Molecular Weight: 201.65
PubChem CID: 53407277

In stock

Item Number

B733493

Grouped product items
SKU	Size	Availability	Price
B733493-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$533.90
B733493-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$800.90
B733493-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,992.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Benzoyl derivatives Aralkylamines Amino acids Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Benzoyl - Aralkylamine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Amine - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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-(1-aminoethyl)benzoic acid;hydrochloride
INCHI	InChI=1S/C9H11NO2.ClH/c1-6(10)7-4-2-3-5-8(7)9(11)12;/h2-6H,10H2,1H3,(H,11,12);1H
InChIKey	GEYYPUHNSHAXET-UHFFFAOYSA-N
Smiles	CC(C1=CC=CC=C1C(=O)O)N.Cl
Isomeric SMILES	CC(C1=CC=CC=C1C(=O)O)N.Cl
PubChem CID	53407277
Molecular Weight	201.65

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	201.650 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	201.056 Da
Monoisotopic Mass	201.056 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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