2,3,4,9-Tetrahydro-1H-carbazol-3-amine - ≥98% , CAS No.61894-99-3

CAS: 61894-99-3 Cat. No.: A726731 Molecular Weight: 186.25

GRADE & PURITY ≥98%

Synonyms

3-amino-1,2,3,4-tetrahydrocarbazol | 2,3,4,9-Tetrahydro-1H-carbazol-3-amine | 3-aMino-1,2,3,4-tetrahydrocarbazole | 1H-Carbazol-3-amine, 2,3,4,9-tetrahydro- | TIANFU-CHEM - 3-Amino-1,2,3,4-tetrahydrocarbazol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-amino-1, 2, 3, 4-tetrahydrocarbazol | 2, 3, 4, 9-Tetrahydro-1H-carbazol-3-amine | 3-aMino-1, 2, 3, 4-tetrahydrocarbazole | 1H-Carbazol-3-amine, 2, 3, 4, 9-tetrahydro- | TIANFU-CHEM - 3-Amino-1, 2, 3, 4-tetrahydrocarbazol

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC2=C(CC1N)C3=CC=CC=C3N2
• IUPAC Name: 2,3,4,9-tetrahydro-1H-carbazol-3-amine
• InChIKey: UFRCIKMHUAOIAT-UHFFFAOYSA-N
• INCHI: 1S/C12H14N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,8,14H,5-7,13H2
• Isomeric SMILES: C1CC2=C(CC1N)C3=CC=CC=C3N2
• Alternate CAS: 61894-99-3
• Molecular Weight: 186.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: 3-alkylindoles Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 3-alkylindole - Indole - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 186.250 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 186.116 Da
• Monoisotopic Mass: 186.116 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 216.000
• 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