Tropinone - ≥99% , CAS No.532-24-1

CAS: 532-24-1 Cat. No.: T100904 Formula: C₈H₁₃NO Peso molecolare: 139.19 Beilstein Registry Number: 2329 Numero EC: 208-530-6 PubChem CID: 79038

GRADE & PURITY ≥99%

Synonyms

Tropanone | 8-methyl-8-aza-bicyclo[3.2.1]octan-3-one | 8-methyl-8-azabicyclo-[3.2.1]octan-3-one | 8-methyl-8-azabicyclo[3.2.1]-octan-3-one | 8-Methyl-8-azabicyclo[3.2.1]octan-3-one | AKOS009156701 | AC-1978 | 1alphaH,5alphaH-Tropan-3-one | 3-Tropinone | C

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

application：

Tropinone (3-Tropinone) is an alkaloid used for an intermediate in synthesis of atropine sulfate.

Specifications

Sinonimi

Tropanone | 8-methyl-8-aza-bicyclo[3.2.1]octan-3-one | 8-methyl-8-azabicyclo-[3.2.1]octan-3-one | 8-methyl-8-azabicyclo[3.2.1]-octan-3-one | 8-Methyl-8-azabicyclo[3.2.1]octan-3-one | AKOS009156701 | AC-1978 | 1alphaH,5alphaH-Tropan-3-one | 3-Tropinone | C

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504755336

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755336

Sorrisi canonici

CN1C2CCC1CC(=O)C2

IUPAC Name

8-methyl-8-azabicyclo[3.2.1]octan-3-one

InChIKey

QQXLDOJGLXJCSE-UHFFFAOYSA-N

INCHI

1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3

Isomeri SMILES

CN1C2CCC1CC(=O)C2

WGK Germania

3

PubChem CID

79038

Peso molecolare

139.19

Beilstein

2329

Reaxy-Rn

2329

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Piperidinones N-alkylpyrrolidines Trialkylamines Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Tropane alkaloid - Piperidinone - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
• Descrizione: 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: Tropane alkaloids

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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Air sensitive；Heat sensitive
• Punto di infiammabilità (°F): 194 °F
• Punto di infiammabilità (°C): 90℃
• Punto di ebollizione (°C): 113°C
• Punto di fusione (°C): 42°C
• Peso molecolare: 139.190 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.1 Da
• Monoisotopic Mass: 139.1 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 151.000
• 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: 1