Tropine - ≥98% , CAS No.120-29-6

CAS: 120-29-6 Cat. No.: T101251 Peso molecular: 141.21 Beilstein Registry Number: 80188 Número EC: 204-384-2

GRADE & PURITY ≥98%

Synonyms

2,3-Dihydro-3alpha-hydroxytropidine | 8-Methyl-8-aza-bicyclo[3.2.1]octan-3-ol | 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol | FT-0600514 | NCGC00179307-01 | Q-201903 | AKOS015955557 | 1-Methyl-2,5-(2-hydroxytrimethylene)pyrrolidine | bmse000974 | N-Tropine (tr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2, 3-Dihydro-3alpha-hydroxytropidine | 8-Methyl-8-aza-bicyclo[3.2.1]octan-3-ol | 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol | FT-0600514 | NCGC00179307-01 | Q-201903 | AKOS015955557 | 1-Methyl-2, 5-(2-hydroxytrimethylene)pyrrolidine | bmse000974 | N-Tropine (tr

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN1C2CCC1CC(C2)O
• IUPAC Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol
• InChIKey: CYHOMWAPJJPNMW-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
• Isómeros SMILES: CN1C2CCC1CC(C2)O
• WGK Alemania: 3
• RTECS: YM3875000
• Peso molecular: 141.21
• Beilstein: 80188
• 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
    • Clase Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

Monoclonal antibody (mAb) 2E2 (49 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Vero (26788 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water. (100 g/L) at 20°C.
• Sensibilidad: Hygroscopic.
• Punto de ebullición (°C): 233°C
• Punto de fusión (°C): 50-60°C
• Peso molecular: 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: 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

Referencias

1. Zhixia Wang, Hang Song.  (2022)  Synthesis of tetramethylpiperidine 1-oxyl-based functional ionic liquids (FTILs), volumetric properties and thermodynamics of the activation for viscous flow of (FTILs + water) binary systems.  CHEMICAL PHYSICS,      [PMID:] [10.1016/j.chemphys.2022.111707]

2. Jing Lu, Hang Song, Yang Yang, Guofei Qian, Lirong Nie, Shun Yao.  (2015)  Synthesis and characterization of novel hexafluorophosphate salts with tropine-type cations.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2015.06.027]

3. Tianhao Cao, Yizhong Zhang, Qian Gong, Qun Zou, Ruifeng Pan, Zhixia Wang.  (2024)  Apparent molar volume at infinite dilution, expansivities and electrochemical behaviours of binary system (tetramethylpiperidine 1-oxyl-based ionic liquids + water).  PHYSICS AND CHEMISTRY OF LIQUIDS,      [PMID:] [10.1080/00319104.2024.2412077]

4. Fengming Mo, Tao Huang, Jinqiang Peng, Yaoyao Shen, Ting Wu, Yuqing Li, Fei Zhang, Xiangshu Chen, Hidetoshi Kita.  (2025)  Nano-sized seeds induced synthesis of ZSM-58 membranes for continuous separation of CO2.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2025.113877]

5. Yifei Wang, Yingdong Yang, Yuxing Liu, Xinkang Zhang, Fengming Mo, Tao Huang, Yongjiang Shan, Ting Wu, Fei Zhang, Xiangshu Chen, Hidetoshi Kita.  (2025)  Hydroxyl Free-Radical-Assisted Synthesis of the ZSM-58 Zeolite Membrane for CO2/CO Separation.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c00003]