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Methyl 3-(phenylamino)propanoate - 98%, high purity , CAS No.21911-84-2

COA

Grade & Purity:

≥98%

Cas Number: 21911-84-2
Molecular Weight: 179.22
PubChem CID: 89103

In stock

Item Number

M192083

Grouped product items
SKU	Size	Availability	Price	Qty
M192083-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$37.90
M192083-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$83.90

Discover Methyl 3-(phenylamino)propanoate by Aladdin Scientific in 98% for only $37.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	21911-84-2 \| METHYL 3-(PHENYLAMINO)PROPANOATE \| methyl 3-anilinopropanoate \| 3-PHENYLAMINO-PROPIONIC ACID METHYL ESTER \| Methyl N-phenyl-beta-alaninate \| MFCD00089334 \| N-Phenyl-beta-alanine methyl ester \| NSC144467 \| SCHEMBL505867 \| F2189-0200 \| Methyl 3-(phenylamino)propio
Specifications & Purity	≥98%
Shipped In	Normal

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 Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Beta amino acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Secondary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - 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	methyl 3-anilinopropanoate
INCHI	InChI=1S/C10H13NO2/c1-13-10(12)7-8-11-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKey	TWAMXXLZDQNMCF-UHFFFAOYSA-N
Smiles	COC(=O)CCNC1=CC=CC=C1
Isomeric SMILES	COC(=O)CCNC1=CC=CC=C1
Molecular Weight	179.22
Reaxy-Rn	2212287
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212287&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	179.220 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	179.095 Da
Monoisotopic Mass	179.095 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	153.000
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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