5-Bromo-DL-tryptophan - ≥99% , CAS No.6548-09-0

CAS: 6548-09-0 Cat. No.: B474372 Summenformel: C₁₁H₁₁BrN₂O₂ Molekulargewicht: 283.12 EG-Nummer: 229-464-4

GRADE & PURITY ≥99%

Synonyms

2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid | 4-Formylphenylboronic acid,pinacolcyclic ester | AKOS005203482 | DTXSID90863904 | 5-Bromotryptophan | 5-bromo-tryptophan | SR-01000003307-1 | 2-Amino-3-(5-bromo-1H-indol-3-yl)-propionic acid | H-Trp(5-Br)-

Storage

Room temperature

Specifications

Synonyme

2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid | 4-Formylphenylboronic acid,pinacolcyclic ester | AKOS005203482 | DTXSID90863904 | 5-Bromotryptophan | 5-bromo-tryptophan | SR-01000003307-1 | 2-Amino-3-(5-bromo-1H-indol-3-yl)-propionic acid | H-Trp(5-Br)-

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488187013

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187013

Kanonisches Lächeln

C1=CC2=C(C=C1Br)C(=CN2)CC(C(=O)O)N

IUPAC Name

2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid

InChIKey

KZDNJQUJBMDHJW-UHFFFAOYSA-N

INCHI

1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)

Isomere SMILES

C1=CC2=C(C=C1Br)C(=CN2)CC(C(=O)O)N

WGK Deutschland

3

Molekulargewicht

283.12

Reaxy-Rn

22755

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: 3-alkylindoles Alpha amino acids Aralkylamines Substituted pyrroles Aryl bromides Benzenoids Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organobromides Monoalkylamines Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Primary aliphatic amine - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
• External Descriptors: Not available

Data sources

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 264 °C
• Molekulargewicht: 283.120 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 282 Da
• Monoisotopic Mass: 282 Da
• Topological Polar Surface Area: 79.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 275.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6548-09-0, the molecular formula is C11H11BrN2O2, and the molecular weight is 283.12 g/mol. InChIKey KZDNJQUJBMDHJW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.