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endo-3-aminomethyl-8-boc-8-azabicyclo[3.2.1]octane - 97%, high purity , CAS No.273376-40-2
Discover endo-3-aminomethyl-8-boc-8-azabicyclo[3.2.1]octane by Aladdin Scientific in 97% for only $1,402.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
exo-3-Aminomethyl-8-Boc-8-azabicyclo[3.2.1]octane | 273207-53-7 | 273376-40-2 | endo-3-aminomethyl-8-boc-8-azabicyclo[3.2.1]octane | (3-endo)-tert-Butyl 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate | tert-butyl (1R,3s,5S)-3-(aminomethyl)-8-azabicyclo[3.2
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tropane alkaloids
Alternative Parents
Piperidinecarboxylic acids Pyrrolidine carboxylic acids Carbamate esters Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Piperidinecarboxylic acid - Tropane alkaloid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidine - Pyrrolidine - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description
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.
Names and Identifiers
IUPAC Name
tert-butyl (1S,5R)-3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
INCHI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-4-5-11(15)7-9(6-10)8-14/h9-11H,4-8,14H2,1-3H3/t9?,10-,11+
InChIKey
JYURWVQSNWVJSV-FGWVZKOKSA-N
Smiles
CC(C)(C)OC(=O)N1C2CCC1CC(C2)CN
Isomeric SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)CN
Molecular Weight
240.3419
Reaxy-Rn
20525116
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20525116&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
240.340 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
240.184 Da
Monoisotopic Mass
240.184 Da
Topological Polar Surface Area
55.600 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
284.000
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
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