Quinoline, 2-pyrazinyl- - ≥90% , CAS No.64858-32-8

CAS: 64858-32-8 Cat. No.: Q1236027 분자식: C₁₃H₉N₃ 분자량: 207.24 PubChem CID: 1472974

GRADE & PURITY ≥90%

Storage

Room temperature

Shipped In

Normal

Specifications

사양 및 순도

≥90%

보관 조건

Room temperature

배송

Normal

순수함

≥90%

이름과 식별자

정식 스마일

C1=CC=C2C(=C1)C=CC(=N2)C3=NC=CN=C3

IUPAC Name

2-pyrazin-2-ylquinoline

InChIKey

KWPJJKVVKMSWRY-UHFFFAOYSA-N

INCHI

1S/C13H9N3/c1-2-4-11-10(3-1)5-6-12(16-11)13-9-14-7-8-15-13/h1-9H

이성체 SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=NC=CN=C3

PubChem CID

1472974

분자량

207.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridines and derivatives Pyrazines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Benzenoid - Pyridine - Pyrazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

화학 및 물리적 특성

• 분자량: 207.230 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.08 Da
• Monoisotopic Mass: 207.08 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 231.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 64858-32-8, the molecular formula is C13H9N3, and the molecular weight is 207.24 g/mol. InChIKey KWPJJKVVKMSWRY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.