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Ethyl 3-(Phenylamino)propanoate - ≥98%, high purity , CAS No.62750-11-2

COA

Grade & Purity:

≥98%

Cas Number: 62750-11-2
Molecular Weight: 193.24
PubChem CID: 10910393

In stock

Item Number

E725215

Grouped product items
SKU	Size	Availability	Price	Qty
E725215-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$225.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Beta amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Beta amino acids and derivatives
Alternative Parents	Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Beta amino acid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
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 3-anilinopropanoate
INCHI	InChI=1S/C11H15NO2/c1-2-14-11(13)8-9-12-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKey	TXEPQFCHHDFYMO-UHFFFAOYSA-N
Smiles	CCOC(=O)CCNC1=CC=CC=C1
Isomeric SMILES	CCOC(=O)CCNC1=CC=CC=C1
PubChem CID	10910393
Molecular Weight	193.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	193.240 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	193.11 Da
Monoisotopic Mass	193.11 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165.000
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	1

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