endo-8-Azabicyclo[3.2.1]octan-3-ol hydrochloride - ≥95% , CAS No.14383-51-8

CAS: 14383-51-8 Cat. No.: E190926 Molecular Weight: 163.65 EC Number: 238-356-6

GRADE & PURITY ≥95%

Synonyms

A808121 | NSC127743 | NSC-127743 | RROJVSOIIWHLCQ-UHFFFAOYSA-N | 3-alpha-Nortropanol hydrochloride | endo-8-Azabicyclo[3.2.1]octan-3-ol hydrochloride | SCHEMBL659022 | AKOS015900584 | 8-azabicyclo[3.2.1]octan-3-ol;hydrochloride | endo-8-Azabicyclo(3.2.1)o

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A808121 | NSC127743 | NSC-127743 | RROJVSOIIWHLCQ-UHFFFAOYSA-N | 3-alpha-Nortropanol hydrochloride | endo-8-Azabicyclo[3.2.1]octan-3-ol hydrochloride | SCHEMBL659022 | AKOS015900584 | 8-azabicyclo[3.2.1]octan-3-ol;hydrochloride | endo-8-Azabicyclo(3.2.1)o

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488186241
• Canonical Smiles: C1CC2CC(CC1N2)O.Cl
• IUPAC Name: 8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
• InChIKey: RROJVSOIIWHLCQ-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H
• Isomeric SMILES: C1CC2CC(CC1N2)O.Cl
• Molecular Weight: 163.65
• Reaxy-Rn: 4015868
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4015868&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Piperidines Pyrrolidines Secondary alcohols Cyclic alcohols and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Tropane alkaloid - Piperidine - Cyclic alcohol - Pyrrolidine - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Amine - Organic nitrogen compound - Hydrochloride - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
• 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

Chemical and Physical Properties

• Molecular Weight: 163.640 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.076 Da
• Monoisotopic Mass: 163.076 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3