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4-(Aminomethyl)phenylacetic acid ethyl ester hcl - 95%, high purity , CAS No.17841-69-9

COA

Grade & Purity:

≥95%

Cas Number: 17841-69-9
Molecular Weight: 229.7
PubChem CID: 19747408

In stock

Item Number

A182191

Grouped product items
SKU	Size	Availability	Price
A182191-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
A182191-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
A182191-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$105.90

Basic Description

Synonyms	17841-69-9 \| Ethyl 2-(4-(aminomethyl)phenyl)acetate hydrochloride \| 4-(Aminomethyl)phenylacetic acid ethyl ester HCl \| ethyl 2-[4-(aminomethyl)phenyl]acetate;hydrochloride \| 4-(Aminomethyl)phenylacetic acid ethyl ester hydrochloride \| ethyl 2-(4-(aminomethyl)phenyl
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Aralkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Aralkylamine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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	ethyl 2-[4-(aminomethyl)phenyl]acetate;hydrochloride
INCHI	InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9;/h3-6H,2,7-8,12H2,1H3;1H
InChIKey	SSXOEPBHTWEJLZ-UHFFFAOYSA-N
Smiles	CCOC(=O)CC1=CC=C(C=C1)CN.Cl
Isomeric SMILES	CCOC(=O)CC1=CC=C(C=C1)CN.Cl
Molecular Weight	229.7
Reaxy-Rn	14192842
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14192842&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.700 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	229.087 Da
Monoisotopic Mass	229.087 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	174.000
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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