Tropinone - 10mM in DMSO , CAS No.532-24-1

CAS: 532-24-1 Cat. No.: T424557 분자식: C₈H₁₃NO 분자량: 139.19 Beilstein Registry Number: 2329 EC 번호: 208-530-6 PubChem CID: 79038

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

개요

application：

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

Specifications

동의어

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

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528771905

정식 스마일

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

이성체 SMILES

CN1C2CCC1CC(=O)C2

WGK 독일

3

PubChem CID

79038

분자량

139.19

Beilstein

2329

Reaxy-Rn

2329

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air sensitive；Heat sensitive
• 발화점(°F): 194 °F
• 발화점(°C): 90℃
• 끓는점(°C): 113°C
• 녹는점(°C): 42°C
• 분자량: 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