Diamantane - ≥97% , CAS No.2292-79-7

CAS: 2292-79-7 Cat. No.: D155205 分子式: C₁₄H₂₀ 分子量: 188.31 EC番号: 850-415-3

グレード＆純度 ≥97%

Synonyms

N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid|pentacyclo[7.3.1.1(4,12).0(2,7).0(6,11)]tetradecane|(6)Diadamantane|3,5,1,7-(1,2,3,4)Butanetetraylnaphthalene, decahydro-|pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane|Congressane

Storage

Room temperature

Shipped In

Normal

仕様

同義語

N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid | pentacyclo[7.3.1.1(4,12).0(2,7).0(6,11)]tetradecane | (6)Diadamantane | 3,5,1,7-(1,2,3,4)Butanetetraylnaphthalene, decahydro- | pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane | Congressane

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

488187722

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488187722

カノニカル・スマイル

C1C2CC3C4C1C5CC(C4)CC3C5C2

IUPAC Name

pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

InChIKey

ZICQBHNGXDOVJF-UHFFFAOYSA-N

INCHI

1S/C14H20/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8/h7-14H,1-6H2

異性体SMILES

C1C2CC3C4C1C5CC(C4)CC3C5C2

分子量

188.31

Reaxy-Rn

1904934

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904934&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Polycyclic hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polycyclic hydrocarbons
• Alternative Parents: Saturated hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Polycyclic hydrocarbon - Saturated hydrocarbon - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
• External Descriptors: polycyclic cage - polycyclic 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

化学的性質と物理的性質

• 融点（°C）: 243-247℃
• 分子量: 188.310 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 188.157 Da
• Monoisotopic Mass: 188.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 205.000
• 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