5-Methyl-2-pyrazinemethanol - ≥97% , CAS No.61892-95-3

CAS: 61892-95-3 Cat. No.: M339546 分子式: C₆H₈N₂O 分子量: 124.14 EC番号: 865-323-9

グレード＆純度 ≥97%

Synonyms

AKOS009358522 | DTXSID50342240 | Z397587476 | F9995-2635 | MFCD11044903 | SCHEMBL2517213 | (5-methylpyrazin-2-yl)methanol | (5-methylpyrazin-2-yl)methanol, AldrichCPR | 5-methylpyrazin-2-ylmethyl alcohol | EN300-66763 | AMY28834 | 5-Methyl-2-pyrazinemetha

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

仕様

同義語

AKOS009358522 | DTXSID50342240 | Z397587476 | F9995-2635 | MFCD11044903 | SCHEMBL2517213 | (5-methylpyrazin-2-yl)methanol | (5-methylpyrazin-2-yl)methanol, AldrichCPR | 5-methylpyrazin-2-ylmethyl alcohol | EN300-66763 | AMY28834 | 5-Methyl-2-pyrazinemetha

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528761868

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528761868

カノニカル・スマイル

CC1=CN=C(C=N1)CO

IUPAC Name

(5-methylpyrazin-2-yl)methanol

InChIKey

QYANNJBVADZUDN-UHFFFAOYSA-N

INCHI

1S/C6H8N2O/c1-5-2-8-6(4-9)3-7-5/h2-3,9H,4H2,1H3

異性体SMILES

CC1=CN=C(C=N1)CO

分子量

124.14

Reaxy-Rn

114255

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114255&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four 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

関連ターゲット（非人間）

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 分子量: 124.140 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 124.064 Da
• Monoisotopic Mass: 124.064 Da
• Topological Polar Surface Area: 46.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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