1-Adamantanemethanol - ≥99% , CAS No.770-71-8

CAS: 770-71-8 Cat. No.: A118554 Fórmula: C₁₁H₁₈O Peso molecular: 166.26 Beilstein Registry Number: 1853339 Número CE: 212-225-3

GRAU & PUREZA ≥99%

Synonyms

FT-0607300 | GEO-04333 | (1-hydroxymethyl)adamantane | 1-Adamantanemethanol, 99% | SCHEMBL17418023 | PB13004 | A9763 | STK385039 | 1-Adamantanemethanol | 1-Adamantane-methanol | MFCD00074751 | 1-adamantyl methylalcohol | 1-Hydroxylmethyladamantane | BB 03

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

FT-0607300 | GEO-04333 | (1-hydroxymethyl)adamantane | 1-Adamantanemethanol, 99% | SCHEMBL17418023 | PB13004 | A9763 | STK385039 | 1-Adamantanemethanol | 1-Adamantane-methanol | MFCD00074751 | 1-adamantyl methylalcohol | 1-Hydroxylmethyladamantane | BB 03

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488183632

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183632

Sorrisos canónicos

C1C2CC3CC1CC(C2)(C3)CO

IUPAC Name

1-adamantylmethanol

InChIKey

MDVGOOIANLZFCP-UHFFFAOYSA-N

INCHI

1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2

SMILES isoméricas

C1C2CC3CC1CC(C2)(C3)CO

WGK Alemanha

3

Peso molecular

166.26

Beilstein

1853339

Reaxy-Rn

1853339

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1853339&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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water. Solubility in methanol (almost transparency).
• Ponto de fusão (°C): 115-118°C
• Peso molecular: 166.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 166.136 Da
• Monoisotopic Mass: 166.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 156.000
• 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