Bicyclo[2.2.1]heptan-2-ol - ≥95%, mixture of endo and exo , CAS No.1632-68-4

CAS: 1632-68-4 Cat. No.: B299976 Molecular Weight: 112.17 EC Number: 216-637-4

GRADE & PURITY ≥95%, mixture of endo and exo

Synonyms

2-Naphthyl acetonitrile | 2-Norbornanol, exo- | endo-Norborneol | p-nitrophenyl-alpha-D-galactoside | SCHEMBL232962 | AKOS000120212 | endo-2-Norbornanol | FT-0604544 | NSC22454 | NSC-22454 | exo-2-Norbornyl alcohol | MFCD00167747 | rac-(1R,2R,4S)-bicyclo[

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Naphthyl acetonitrile | 2-Norbornanol, exo- | endo-Norborneol | p-nitrophenyl-alpha-D-galactoside | SCHEMBL232962 | AKOS000120212 | endo-2-Norbornanol | FT-0604544 | NSC22454 | NSC-22454 | exo-2-Norbornyl alcohol | MFCD00167747 | rac-(1R, 2R, 4S)-bicyclo[

Specifications & Purity

≥95%, mixture of endo and exo

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488185664
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185664
• Canonical Smiles: C1CC2CC1CC2O
• IUPAC Name: bicyclo[2.2.1]heptan-2-ol
• InChIKey: ZQTYQMYDIHMKQB-UHFFFAOYSA-N
• INCHI: 1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2
• Isomeric SMILES: C1CC2CC1CC2O
• Molecular Weight: 112.17
• Reaxy-Rn: 2036611
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036611&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 112.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 101.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1