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N-(3-Indolylacetyl)-L-alanine - 95%, high purity , CAS No.57105-39-2

COA

Grade & Purity:

≥95%

Cas Number: 57105-39-2
Molecular Weight: 246.26
PubChem CID: 644225
PubChem SID: 488190981

In stock

Item Number

N341589

Grouped product items
SKU	Size	Availability	Price
N341589-100mg	100mg	2	$20.90
N341589-250mg	250mg	4	$38.90
N341589-1g	1g	2	$140.90

Basic Description

Synonyms	CS-0201654 \| (2-(1H-indol-3-yl)acetyl)-L-alanine \| N-(1H-indol-3-ylacetyl)-L-alanine \| L-Alanine, N-(1H-indol-3-ylacetyl)- (9CI) \| bmse000687 \| DTXSID30349333 \| I-1300 \| N-(3-Indolylacetyl)-L-alanine, 98% \| A831314 \| N-(indole-3-yl-acetyl)-alanine \| Q2713
Specifications & Purity	≥95%
Storage Temp	Room temperature
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 Alpha amino acids and derivatives
        Level7 N-acyl-alpha amino acids and derivatives
        Level8 N-acyl-alpha amino acids
        Level9 N-acyl-L-alpha-amino acids

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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
Direct Parent	N-acyl-L-alpha-amino acids
Alternative Parents	Alanine and derivatives 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-acyl-l-alpha-amino acid - Alanine or derivatives - 3-alkylindole - Indole - Indole or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
External Descriptors	indoleacetic acid amide conjugate - N-acyl-L-alanine
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488190981
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190981
IUPAC Name	(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
INCHI	InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1
InChIKey	FBDCJLXTUCMFLF-QMMMGPOBSA-N
Smiles	CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
Isomeric SMILES	C[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
WGK Germany	3
Molecular Weight	246.26
Reaxy-Rn	89480
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=89480&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
C2507158	Certificate of Analysis	Feb 23, 2023	N341589
C2311426	Certificate of Analysis	Feb 23, 2023	N341589
C2311431	Certificate of Analysis	Feb 23, 2023	N341589
K2415077	Certificate of Analysis	Feb 23, 2023	N341589
C2311430	Certificate of Analysis	Feb 23, 2023	N341589

Chemical and Physical Properties

Refractive Index	−21°
Melt Point(°C)	138-140° C (lit.)
Molecular Weight	246.260 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	246.1 Da
Monoisotopic Mass	246.1 Da
Topological Polar Surface Area	82.200 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	332.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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