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D-Tryptophan Benzyl Ester Hydrochloride - ≥98.0%(N), high purity , CAS No.22839-16-3

COA

Grade & Purity:

≥98%(N)

Cas Number: 22839-16-3
Molecular Weight: 330.81
MDL number: MFCD00237293
PubChem CID: 44629900
PubChem SID: 488201034

In stock

Item Number

S135591

Grouped product items
SKU	Size	Availability	Price
S135591-1g	1g	3	$117.90
S135591-5g	5g	3	$398.90
S135591-25g	25g	3	$1,791.90

View related series

azole (525) Five-Membered Heterocyclic Compounds (2064)

Basic Description

Synonyms	(R)-benzyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride \| AKOS015847215 \| MFCD00237293 \| benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride \| H-D-Trp-OBzl.HCl \| D-Tryptophan Benzyl Ester Hydrochloride \| T2438 \| D-Tryptophan,phenylmethyl es
Specifications & Purity	≥98%(N)
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 Alpha amino acid esters

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
Direct Parent	Alpha amino acid esters
Alternative Parents	Indolyl carboxylic acids and derivatives Benzyloxycarbonyls 3-alkylindoles Fatty acid esters Aralkylamines Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid ester - Indolyl carboxylic acid derivative - Benzyloxycarbonyl - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Fatty acyl - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Carbonyl group - Organic oxygen compound - Hydrochloride - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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

Pubchem Sid	488201034
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488201034
IUPAC Name	benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
INCHI	InChI=1S/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H/t16-;/m1./s1
InChIKey	DOKDMGOWZOTZRA-PKLMIRHRSA-N
Smiles	C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N.Cl
Isomeric SMILES	C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N.Cl
Molecular Weight	330.81
Reaxy-Rn	34840866
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34840866&ln=

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

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
E2330900	Certificate of Analysis	Mar 04, 2025	S135591
E2330901	Certificate of Analysis	Mar 04, 2025	S135591
E2330896	Certificate of Analysis	Mar 04, 2025	S135591
E2330881	Certificate of Analysis	Mar 04, 2025	S135591
E2330902	Certificate of Analysis	Mar 04, 2025	S135591
E2330884	Certificate of Analysis	Mar 04, 2025	S135591
E1528157	Certificate of Analysis	Jan 11, 2023	S135591

Chemical and Physical Properties

Specific Rotation[α]	-32° (C=1,DMF)
Melt Point(°C)	215°C(lit.)
Molecular Weight	330.800 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	330.114 Da
Monoisotopic Mass	330.114 Da
Topological Polar Surface Area	68.100 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	368.000
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	2

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