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

CAS: 135-97-7 Cat. No.: E190701 Summenformel: C₈H₁₅NO Molekulargewicht: 141.21 EG-Nummer: 205-226-5

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488189862

Pubchem Sid Url

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

Kanonisches Lächeln

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?

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

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.