2-methoxypyrazine - ≥98% , CAS No.3149-28-8

CAS: 3149-28-8 Cat. No.: M136222 분자식: C₅H₆N₂O 분자량: 110.12 EC 번호: 221-579-8

등급 & 순도 ≥98%

Synonyms

2-Methoxy pyrazine | AKOS006222496 | PD158856 | A820876 | O10825 | Pyrazine, methoxy- | InChI=1/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H | METHOXYPYRAZINE | Methoxy-Pyrazine | AC-16647 | HY-W010562 | 2-METHOXYPYRAZINE [FCC] | EINECS 221-579-8 | 2-Methoxypyrazi

Storage

Room temperature

Shipped In

Normal

사양

동의어

2-Methoxy pyrazine | AKOS006222496 | PD158856 | A820876 | O10825 | Pyrazine, methoxy- | InChI=1/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H | METHOXYPYRAZINE | Methoxy-Pyrazine | AC-16647 | HY-W010562 | 2-METHOXYPYRAZINE [FCC] | EINECS 221-579-8 | 2-Methoxypyrazi

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488182476

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182476

정식 스마일

COC1=NC=CN=C1

IUPAC Name

2-methoxypyrazine

InChIKey

WKSXRWSOSLGSTN-UHFFFAOYSA-N

INCHI

1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3

이성체 SMILES

COC1=NC=CN=C1

WGK 독일

3

UN 번호

1993

포장 그룹

III

분자량

110.12

Reaxy-Rn

2241

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxypyrazines
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxypyrazine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine 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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.509
• 발화점(°F): 114.8 °F
• 발화점(°C): 50°C(lit.)
• 끓는점(°C): 68°C
• 분자량: 110.110 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 110.048 Da
• Monoisotopic Mass: 110.048 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 67.400
• 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