Geranyl Nitrile - ≥97% , CAS No.5146-66-7

CAS: 5146-66-7 Cat. No.: G105815 分子式: C₁₀H₁₅N 分子量: 149.23 EC番号: 225-918-0

グレード＆純度 ≥97%

Synonyms

(2E)-3,7-dimethylocta-2,6-dienenitrile | 2,6-Dimethyl-1,5-heptadienyl Cyanide | 2,6-Octadienenitrile, 3,7-dimethyl-, (2E)- | 2-Geranonitrile | Citralva | DTXSID3036286 | EC 225-918-0 | DTXCID1016286 | LS-13824 | MFCD00001926 | DIMETHYLOCTA-2,6-DIENENITRIL

Storage

Room temperature

Shipped In

Normal

仕様

同義語

(2E)-3,7-dimethylocta-2,6-dienenitrile | 2,6-Dimethyl-1,5-heptadienyl Cyanide | 2,6-Octadienenitrile, 3,7-dimethyl-, (2E)- | 2-Geranonitrile | Citralva | DTXSID3036286 | EC 225-918-0 | DTXCID1016286 | LS-13824 | MFCD00001926 | DIMETHYLOCTA-2,6-DIENENITRIL

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488191965

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488191965

カノニカル・スマイル

CC(=CCCC(=CC#N)C)C

IUPAC Name

(2E)-3,7-dimethylocta-2,6-dienenitrile

InChIKey

HLCSDJLATUNSSI-JXMROGBWSA-N

INCHI

1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7+

異性体SMILES

CC(=CCC/C(=C/C#N)/C)C

WGKドイツ

2

分子量

149.23

Reaxy-Rn

1758701

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758701&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic monoterpenoids
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• 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

化学的性質と物理的性質

• 屈折率: 1.472-1.476
• 引火点（°F）: 113 °C
• 引火点（°C）: 113°C
• 沸点（°C）: 222 °C
• 分子量: 149.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.12 Da
• Monoisotopic Mass: 149.12 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 208.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1