2,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indole - ≥97% , CAS No.6208-60-2

CAS: 6208-60-2 Cat. No.: T171216 Molecular Weight: 172.23 EC Number: 887-385-6 PubChem CID: 723230

GRADE & PURITY ≥97%

Synonyms

RPROHCOBMVQVIV-UHFFFAOYSA-N | EN300-25330 | BS-13782 | MLS001198355 | J-506856 | AKOS000301354 | A833573 | SCHEMBL169954 | STK500458 | Z203053856 | 2,3,4,5-tetrahydro-1H-pyrid[4,3-b]indole;hydrochloride | 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro- | AMY9

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

RPROHCOBMVQVIV-UHFFFAOYSA-N | EN300-25330 | BS-13782 | MLS001198355 | J-506856 | AKOS000301354 | A833573 | SCHEMBL169954 | STK500458 | Z203053856 | 2, 3, 4, 5-tetrahydro-1H-pyrid[4, 3-b]indole;hydrochloride | 1H-Pyrido[4, 3-b]indole, 2, 3, 4, 5-tetrahydro- | AMY9

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504759990
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759990
• Canonical Smiles: C1CNCC2=C1NC3=CC=CC=C23
• IUPAC Name: 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
• InChIKey: RPROHCOBMVQVIV-UHFFFAOYSA-N
• INCHI: 1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12-13H,5-7H2
• Isomeric SMILES: C1CNCC2=C1NC3=CC=CC=C23
• WGK Germany: 3
• PubChem CID: 723230
• Molecular Weight: 172.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 172.230 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 172.1 Da
• Monoisotopic Mass: 172.1 Da
• Topological Polar Surface Area: 27.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• 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