3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride - ≥97% , CAS No.1820649-01-1

CAS: 1820649-01-1 Cat. No.: M630688 Molecular Weight: 177.67 PubChem CID: 76145535

GRADE & PURITY ≥97%

Synonyms

3-methoxy-8-azabicyclo[3.2.1]octane hydrochloride | 1820649-01-1 | 3-methoxy-8-azabicyclo[3.2.1]octane | hydrochloride | (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane | SCHEMBL22800528 | WGC25466 | AKOS024464934 | SB13001 | E73516 | EN300-236390 | 3-methoxy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

3-methoxy-8-azabicyclo[3.2.1]octane hydrochloride | 1820649-01-1 | 3-methoxy-8-azabicyclo[3.2.1]octane | hydrochloride | (1R, 5S)-3-methoxy-8-azabicyclo[3.2.1]octane | SCHEMBL22800528 | WGC25466 | AKOS024464934 | SB13001 | E73516 | EN300-236390 | 3-methoxy

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1CC2CCC(C1)N2.Cl
• IUPAC Name: 3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride
• InChIKey: TUQKVSDUCJVCOI-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO.ClH/c1-10-8-4-6-2-3-7(5-8)9-6;/h6-9H,2-5H2,1H3;1H
• Isomeric SMILES: COC1CC2CCC(C1)N2.Cl
• PubChem CID: 76145535
• Molecular Weight: 177.67

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 Dialkylamines Dialkyl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Tropane alkaloid - Piperidine - Pyrrolidine - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - 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: 177.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.092 Da
• Monoisotopic Mass: 177.092 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 114.000
• 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

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