The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
tert-butyl octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - 97%, high purity
Discover tert-butyl octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate by Aladdin Scientific in 97% for only $949.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
351370-99-5 | 5-Boc-Octahydropyrrolo[3,4-c]pyridine | 5-Boc-octahydro-pyrrolo[3,4-c]pyridine | 1257389-94-8 | tert-butyl 1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxylate | 5-Boc-octahydro-pyrrolo(3,4-c)pyridine | tert-butyl octahydro-1H-pyrrolo[3,4-c]p
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyridines
Alternative Parents
Piperidinecarboxylic acids Pyridines and derivatives Pyrrolidines Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Piperidinecarboxylic acid - Pyrrolopyridine - Piperidine - Pyridine - Pyrrolidine - Carbamic acid ester - Secondary aliphatic amine - Azacycle - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
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 1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxylate
INCHI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-5-4-9-6-13-7-10(9)8-14/h9-10,13H,4-8H2,1-3H3
InChIKey
LRTPRHCNWAEZBN-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC2CNCC2C1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
226.320 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
226.168 Da
Monoisotopic Mass
226.168 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
273.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
