2-Methylundecane - ≥98%(GC) , CAS No.7045-71-8

CAS: 7045-71-8 Cat. No.: M158517 分子式: C₁₂H₂₆ 分子量: 170.34 EC番号: 230-323-4

グレード＆純度 ≥98%(GC)

Synonyms

2-Methylundecane|ISODODECANE|7045-71-8|Undecane, 2-methyl-|31807-55-3|H40FL8477B|2 2 4 6 6-PENTAMETHYLHEPTANE|2-Methylhendecane|isodo-decane|UNII-H40FL8477B|EINECS 230-323-4|EINECS 250-816-8|DTXSID50873241|MFCD00036106|AKOS015912736|FT-0715064|M0239|Q2813

Storage

Room temperature

Shipped In

Normal

仕様

同義語

2-Methylundecane | ISODODECANE | 7045-71-8 | Undecane, 2-methyl- | 31807-55-3 | H40FL8477B | 2 2 4 6 6-PENTAMETHYLHEPTANE | 2-Methylhendecane | isodo-decane | UNII-H40FL8477B | EINECS 230-323-4 | EINECS 250-816-8 | DTXSID50873241 | MFCD00036106 | AKOS015912736 | FT-0715064 | M0239 | Q2813

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

508808438

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508808438

カノニカル・スマイル

CCCCCCCCCC(C)C

IUPAC Name

2-methylundecane

InChIKey

GTJOHISYCKPIMT-UHFFFAOYSA-N

INCHI

1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3

異性体SMILES

CCCCCCCCCC(C)C

分子量

170.34

Reaxy-Rn

1731755

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

• 引火点（°F）: 66°C(lit.)
• 引火点（°C）: 66°C(lit.)
• 沸点（°C）: 210°C(lit.)
• 融点（°C）: -46°C(lit.)
• 分子量: 170.330 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 170.203 Da
• Monoisotopic Mass: 170.203 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 74.100
• 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