2,3-Cyclopentenopyridine - ≥95% , CAS No.533-37-9

CAS: 533-37-9 Cat. No.: C616548 Summenformel: C₈H₉N Molekulargewicht: 119.16 Beilstein Registry Number: 20(5)6,237 EG-Nummer: 208-564-1

GRADE & PURITY ≥95%

Synonyms

6,7-dihydro-5H-[1]pyrindine | 5H-Cyclopenta[b]pyridine,6,7-dihydro- | DTXSID70201446 | InChI=1/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H | Q27252043 | 5H,6H,7H-cyclopenta[b]pyridine | 5H-1-Pyrindene, 6,7-dihydro- | 18Z19A103W | 6,7-Dihydro-5H-cyclopenta

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

6,7-dihydro-5H-[1]pyrindine | 5H-Cyclopenta[b]pyridine,6,7-dihydro- | DTXSID70201446 | InChI=1/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H | Q27252043 | 5H,6H,7H-cyclopenta[b]pyridine | 5H-1-Pyrindene, 6,7-dihydro- | 18Z19A103W | 6,7-Dihydro-5H-cyclopenta

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528755330

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755330

Kanonisches Lächeln

C1CC2=C(C1)N=CC=C2

IUPAC Name

6,7-dihydro-5H-cyclopenta[b]pyridine

InChIKey

KRNSYSYRLQDHDK-UHFFFAOYSA-N

INCHI

1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2

Isomere SMILES

C1CC2=C(C1)N=CC=C2

WGK Deutschland

3

Molekulargewicht

119.16

Beilstein

20(5)6,237

Reaxy-Rn

111920

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111920&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.544
• Flammpunkt (°F): 152.6 °F
• Flammpunkt (°C): 67°(153°F)
• Siedepunkt (°C): 87-88°C/11mmHg
• Molekulargewicht: 119.160 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 119.073 Da
• Monoisotopic Mass: 119.073 Da
• Topological Polar Surface Area: 12.900 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