ドデカン - 無水, 99%以上 , CAS No.112-40-3

CAS: 112-40-3 Cat. No.: D119697 分子式: C₁₂H₂₆ 分子量: 170.33 Beilstein Registry Number: 1697175 EC番号: 203-967-9

GRADE & PURITY Anhydrous Grade, ≥99%

Synonyms

CAS-112-40-3 | Dodecane, ReagentPlus(R), >=99% | Dihexyl | CCRIS 661 | C12-N-ALKANE | D0968 | Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated | MFCD00008969 | NSC 8714 | FT-0625568 | NSC8714 | NSC-8714 | Density Standar

Storage

Desiccated,Room temperature

Shipped In

ノーマル

Specifications

同義語

CAS-112-40-3 | Dodecane, ReagentPlus(R), >=99% | Dihexyl | CCRIS 661 | C12-N-ALKANE | D0968 | Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated | MFCD00008969 | NSC 8714 | FT-0625568 | NSC8714 | NSC-8714 | Density Standar

仕様と純度

無水, 99%以上

保管条件

Desiccated,Room temperature

入荷

ノーマル

等級

Anhydrous Grade

純度

≥99%

名前と識別子

パブケム・シド

508812541

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508812541

カノニカル・スマイル

CCCCCCCCCCCC

IUPAC Name

dodecane

InChIKey

SNRUBQQJIBEYMU-UHFFFAOYSA-N

INCHI

1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

異性体SMILES

CCCCCCCCCCCC

WGKドイツ

3

RTECS

JR2125000

分子量

170.33

Beilstein

1697175

Reaxy-Rn

1697175

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697175&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: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: an alkane

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（人間）

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

関連ターゲット（非人間）

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

• 感度: Hygroscopic
• 屈折率: 1.4221
• 引火点（°F）: 158.0 °F
• 引火点（°C）: 71℃
• 沸点（°C）: 213°C
• 融点（°C）: -12°C
• 分子量: 170.330 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• 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: 56.400
• 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