3-Amino-9H-pyrido[3,4-b]indole - ≥97% , CAS No.73834-77-2

CAS: 73834-77-2 Cat. No.: A151563 Peso molecular: 183.21

GRADE & PURITY ≥97%

Synonyms

1,1-dimethylethyl 4-(methylsulfonyloxy)piperidine-1-carboxylate | 3-Amino-9H-pyrido(3,4-b)indole | 9H-I(2)-Carbolin-3-ylamine | L002417 | 3-Amino-beta-carboline | 9H-beta-Carbolin-3-ylamine | 9H-Pyrido(3,4-b)indole, 3-amino- | SCHEMBL1982871 | 9H-Pyrido(3

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 1-dimethylethyl 4-(methylsulfonyloxy)piperidine-1-carboxylate | 3-Amino-9H-pyrido(3, 4-b)indole | 9H-I(2)-Carbolin-3-ylamine | L002417 | 3-Amino-beta-carboline | 9H-beta-Carbolin-3-ylamine | 9H-Pyrido(3, 4-b)indole, 3-amino- | SCHEMBL1982871 | 9H-Pyrido(3

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488187606
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187606
• Sonrisas canónicas: C1=CC=C2C(=C1)C3=CC(=NC=C3N2)N
• IUPAC Name: 9H-pyrido[3,4-b]indol-3-amine
• InChIKey: UGMPOJSWOINMDE-UHFFFAOYSA-N
• INCHI: 1S/C11H9N3/c12-11-5-8-7-3-1-2-4-9(7)14-10(8)6-13-11/h1-6,14H,(H2,12,13)
• Isómeros SMILES: C1=CC=C2C(=C1)C3=CC(=NC=C3N2)N
• RTECS: UU9351650
• Peso molecular: 183.21
• Reaxy-Rn: 4182076
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4182076&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Pyridoindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Pyridoindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta carbolines
• Alternative Parents: Indoles Aminopyridines and derivatives Imidolactams Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta-carboline - Indole - Aminopyridine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrrole - Azacycle - Amine - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 291°C(lit.)
• Peso molecular: 183.210 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 183.08 Da
• Monoisotopic Mass: 183.08 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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