5-Bromotryptamine hydrochloride - ≥97% , CAS No.81868-12-4

CAS: 81868-12-4 Cat. No.: E634599 Molecular Weight: 275.58 EC Number: 676-838-1

GRADE & PURITY ≥97%

Synonyms

B-9000 | DTXSID40531308 | 2-(5-Bromo-1H-indol-3-yl)-ethylamine hydrochloride | SCHEMBL687689 | Z2760930339 | 2-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride | 2-(5-Bromo-1H-indol-3-yl)ethanamine hydrochloride | AM807786 | 2-(5-Bromo-1H-indol-3-yl)ethana

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

B-9000 | DTXSID40531308 | 2-(5-Bromo-1H-indol-3-yl)-ethylamine hydrochloride | SCHEMBL687689 | Z2760930339 | 2-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride | 2-(5-Bromo-1H-indol-3-yl)ethanamine hydrochloride | AM807786 | 2-(5-Bromo-1H-indol-3-yl)ethana

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=C1Br)C(=CN2)CCN.Cl
• IUPAC Name: 2-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
• InChIKey: QUPXCOYSKSUJPX-UHFFFAOYSA-N
• INCHI: 1S/C10H11BrN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H
• Isomeric SMILES: C1=CC2=C(C=C1Br)C(=CN2)CCN.Cl
• Alternate CAS: 81868-12-4;3610-42-2
• Molecular Weight: 275.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles 2-arylethylamines Aralkylamines Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organobromides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - 2-arylethylamine - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Amine - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• 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

Chemical and Physical Properties

• Molecular Weight: 275.570 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 273.987 Da
• Monoisotopic Mass: 273.987 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 174.000
• 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: 2

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