2-Isobutyl-3-methoxypyrazine - analytical standard , CAS No.24683-00-9

CAS: 24683-00-9 Cat. No.: I135805 Molecular Weight: 166.22 EC Number: 246-402-1

GRADE & PURITY Analytical standard

Synonyms

2-Methoxy-3-(2-methylpropyl)pyrazine | 2-methoxy-3-(2-methylpropyl)-pyrazine | 2-Methoxy-3-(2-methyl-propyl) pyrazine | DTXCID4030469 | SCHEMBL113424 | 3-methoxy-2-isobutylpyrazine | 1qy1 | 2-Isobutyl-3-methoxypyrazine, 99% | BDBM12031 | DB04512 | NCGC003

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Overview

2-Isobutyl-3-methoxypyrazine, a potent bell-pepper odourant, has been found to bind to cow olfactory mucosa homogenate.

Purpose：

2-Isobutyl-3-methoxypyrazine has been employed as a model odorant molecule during an electrochemical assay for the detection of odorant molecules based on a rat odorant-binding protein (rOBP3).

Specifications

Synonyms

2-Methoxy-3-(2-methylpropyl)pyrazine | 2-methoxy-3-(2-methylpropyl)-pyrazine | 2-Methoxy-3-(2-methyl-propyl) pyrazine | DTXCID4030469 | SCHEMBL113424 | 3-methoxy-2-isobutylpyrazine | 1qy1 | 2-Isobutyl-3-methoxypyrazine, 99% | BDBM12031 | DB04512 | NCGC003

Specifications & Purity

analytical standard

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CC(C)CC1=NC=CN=C1OC
• IUPAC Name: 2-methoxy-3-(2-methylpropyl)pyrazine
• InChIKey: UXFSPRAGHGMRSQ-UHFFFAOYSA-N
• INCHI: 1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
• Isomeric SMILES: CC(C)CC1=NC=CN=C1OC
• WGK Germany: 3
• Molecular Weight: 166.22
• Reaxy-Rn: 879301
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879301&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.49
• Flash Point(°F): 176 °F
• Flash Point(°C): 80°C(lit.)
• Molecular Weight: 166.220 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.111 Da
• Monoisotopic Mass: 166.111 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 128.000
• 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