Adamantane - ≥99% , CAS No.281-23-2

CAS: 281-23-2 Cat. No.: A105219 Formule: C₁₀H₁₆ Poids moléculaire: 136.23 Beilstein Registry Number: 1901173 Numéro CE: 206-001-4

QUALITÉ & PURETÉ ≥99%

Synonyms

Adamantane, >=99% | EC 206-001-4 | DB03627 | PJY633525U | Tricyclo(3,3,1,1,<3,7>)-decane | Tricyclo[3.3.1.1<3,7>]decane | DS-4960 | NSC 527913 | Z104474730 | Adamantine | AKOS016354066 | D88553 | EN300-19684 | AKOS004908007 | ADAMANTANE | AKOS000119960 |

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Application：

Adamantane is the structural backbone of various medicinally important compounds such as amantadine, memantine, saxagliptin and vildagliptin. It is used in the synthesis of adamantine-based dirhodium tetracarboxylate catalyst for carbenoid reactions. It can also be used as a seeding material for the nucleation of nanocrystalline diamond films.

Spécifications

Synonymes

Adamantane, >=99% | EC 206-001-4 | DB03627 | PJY633525U | Tricyclo(3,3,1,1,<3,7>)-decane | Tricyclo[3.3.1.1<3,7>]decane | DS-4960 | NSC 527913 | Z104474730 | Adamantine | AKOS016354066 | D88553 | EN300-19684 | AKOS004908007 | ADAMANTANE | AKOS000119960 |

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488180950

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180950

Sourires canoniques

C1C2CC3CC1CC(C2)C3

IUPAC Name

adamantane

InChIKey

ORILYTVJVMAKLC-UHFFFAOYSA-N

INCHI

1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2

Isomères SMILES

C1C2CC3CC1CC(C2)C3

WGK Allemagne

2

RTECS

YK0493000

Poids moléculaire

136.23

Beilstein

1901173

Reaxy-Rn

1901173

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Description: 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: adamantanes - 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

Cibles associées (humaines)

MCF7 (126967 Activities)

Explore this target

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

MDA-MB-468 (9477 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: insoluble in water.
• Indice de réfraction: 1.568
• Point de fusion (°C): 209-212°C
• Poids moléculaire: 136.230 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125 Da
• Monoisotopic Mass: 136.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 75.100
• 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