Pseudotropine - ≥98% , CAS No.135-97-7

CAS: 135-97-7 Cat. No.: E190701 分子式: C₈H₁₅NO 分子量: 141.21 EC番号: 205-226-5

グレード＆純度 ≥98%

Synonyms

Rel-Tropine | (3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol | .ALPHA.-TROPINE | 1alphaH,5alphaH-Tropan-3alpha-ol | 8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, (3-endo)- | CAS-120-29-6 | NSC 43870 | DTXSID501026533 | EN300-6474754 | PS-4234 | Tropanol | Tro

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Rel-Tropine | (3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol | .ALPHA.-TROPINE | 1alphaH,5alphaH-Tropan-3alpha-ol | 8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, (3-endo)- | CAS-120-29-6 | NSC 43870 | DTXSID501026533 | EN300-6474754 | PS-4234 | Tropanol | Tro

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488189862

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488189862

カノニカル・スマイル

CN1C2CCC1CC(C2)O

IUPAC Name

(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

InChIKey

CYHOMWAPJJPNMW-DHBOJHSNSA-N

INCHI

1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?

異性体SMILES

CN1[C@@H]2CC[C@H]1CC(C2)O

分子量

141.21

Reaxy-Rn

80187

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80187&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 分類: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Piperidines N-alkylpyrrolidines Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Tropane alkaloid - Piperidine - N-alkylpyrrolidine - Cyclic alcohol - Pyrrolidine - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Alcohol - Aliphatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 141.210 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.115 Da
• Monoisotopic Mass: 141.115 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 123.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 135-97-7, the molecular formula is C8H15NO, and the molecular weight is 141.21 g/mol. InChIKey CYHOMWAPJJPNMW-DHBOJHSNSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.