1-adamantaneéthanol - ≥98%(GC) , CAS No.6240-11-5

CAS: 6240-11-5 Cat. No.: A151184 Formule: C₁₂H₂₀O Poids moléculaire: 180.29 Numéro CE: 228-353-8

GRADE & PURITY ≥98%(GC)

Synonyms

1-(2-Hydroxyethyl)adamantane | AKOS001022021 | AKOS023552912 | 2-(adamantan-1-yl)ethan-1-ol | W-105000 | DTXSID30211465 | SR-01000389489 | 1-Adamantanethanol | 1-Hydroxy-2-(adamant-1-yl)ethane | Tricyclo(3.3.1.13,7)decaneethanol | Tris(2-chloroethyl)amine

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

le 1-Adamantaneéthanol a été utilisé dans la synthèse de :

4-(adamant-1-ylethylenoxycarbonyl)phthalanhydride

poly(2-méthoxy-5-cyclohexylméthyloxy-p-phénylène vinylène)

phtalocyanines contenant de l'adamantine

Specifications

Synonymes

1-(2-Hydroxyethyl)adamantane | AKOS001022021 | AKOS023552912 | 2-(adamantan-1-yl)ethan-1-ol | W-105000 | DTXSID30211465 | SR-01000389489 | 1-Adamantanethanol | 1-Hydroxy-2-(adamant-1-yl)ethane | Tricyclo(3.3.1.13,7)decaneethanol | Tris(2-chloroethyl)amine

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488187450

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187450

Sourires canoniques

C1C2CC3CC1CC(C2)(C3)CCO

IUPAC Name

2-(1-adamantyl)ethanol

InChIKey

ZBIDZPHRNBZTLT-UHFFFAOYSA-N

INCHI

1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2

Isomères SMILES

C1C2CC3CC1CC(C2)(C3)CCO

Poids moléculaire

180.29

Reaxy-Rn

1855382

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1855382&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Soluble in Methanol
• Point de fusion (°C): 66-78℃
• Poids moléculaire: 180.290 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 180.151 Da
• Monoisotopic Mass: 180.151 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 168.000
• 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