4,5,6,7-Tetrahydroindole - ≥98% , CAS No.13618-91-2

CAS: 13618-91-2 Cat. No.: T167082 Peso molecular: 121.18 Beilstein Registry Number: 108853 Número EC: 624-521-3 PubChem CID: 97429

GRADE & PURITY ≥98%

Synonyms

MFCD00012134 | P10023 | FT-0600350 | 4,5,6,7-Tetrahydroindole | InChI=1/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H | J-006819 | AS-50369 | NSC122455 | NSC-122455 | Benzaldehyde,4-amino-3-methoxy-(9Cl) | Q27461810 | 1H-Indole, 4,5,6,7-tetrahydro- | Z274765

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MFCD00012134 | P10023 | FT-0600350 | 4, 5, 6, 7-Tetrahydroindole | InChI=1/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6, 9H, 1-4H | J-006819 | AS-50369 | NSC122455 | NSC-122455 | Benzaldehyde, 4-amino-3-methoxy-(9Cl) | Q27461810 | 1H-Indole, 4, 5, 6, 7-tetrahydro- | Z274765

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504756366
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756366
• Sonrisas canónicas: C1CCC2=C(C1)C=CN2
• IUPAC Name: 4,5,6,7-tetrahydro-1H-indole
• InChIKey: KQBVVLOYXDVATK-UHFFFAOYSA-N
• INCHI: 1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2
• Isómeros SMILES: C1CCC2=C(C1)C=CN2
• WGK Alemania: 3
• PubChem CID: 97429
• Peso molecular: 121.18
• Beilstein: 108853

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 53-57 °C
• Peso molecular: 121.180 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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