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8-aminomethyl-3-boc-3-azabicyclo[3.2.1]octane hydrochloride - 97%, high purity , CAS No.1408075-94-4
Discover 8-aminomethyl-3-boc-3-azabicyclo[3.2.1]octane hydrochloride by Aladdin Scientific in 97% for only $3,818.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1408075-94-4 | 8-Aminomethyl-3-Boc-3-azabicyclo[3.2.1]octane hydrochloride | tert-Butyl 8-(aminomethyl)-3-azabicyclo[3.2.1]octane-3-carboxylate hydrochloride | 8-Aminomethyl-3-Boc-3-azabicyclo-[3.2.1]octane hydrochloride | tert-butyl 8-(aminomethyl)-3-azabicyclo[
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Azepanes Carbamate esters Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Piperidinecarboxylic acid - Azepane - Carbamic acid ester - Azacycle - Amine - Hydrocarbon derivative - Hydrochloride - Organic oxide - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
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 8-(aminomethyl)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
INCHI
InChI=1S/C13H24N2O2.ClH/c1-13(2,3)17-12(16)15-7-9-4-5-10(8-15)11(9)6-14;/h9-11H,4-8,14H2,1-3H3;1H
InChIKey
HLMHBVVUMBLUHN-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CC2CCC(C1)C2CN.Cl
Isomeric SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)C2CN.Cl
PubChem CID
74889703
Molecular Weight
276.81
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
276.800 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
276.16 Da
Monoisotopic Mass
276.16 Da
Topological Polar Surface Area
55.600 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
284.000
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
2
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