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(1R，4R)-Benzyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate - ≥95%, high purity , CAS No.1400808-09-4

COA

Grade & Purity:

≥95%

Cas Number: 1400808-09-4
Molecular Weight: 245.27
PubChem CID: 15669551

In stock

Item Number

B690686

Grouped product items
SKU	Size	Availability	Price	Qty
B690686-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$450.90
B690686-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$855.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Piperidinecarboxylic acids Pyrrolidine carboxylic acids Piperidinones Carbamate esters Ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzyloxycarbonyl - Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidinone - Piperidine - Carbamic acid ester - Pyrrolidine - Ketone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	benzyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
INCHI	InChI=1S/C14H15NO3/c16-13-7-12-6-11(13)8-15(12)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKey	GKBNRJQNBQXKON-UHFFFAOYSA-N
Smiles	C1C2CC(=O)C1CN2C(=O)OCC3=CC=CC=C3
Isomeric SMILES	C1C2CC(=O)C1CN2C(=O)OCC3=CC=CC=C3
Molecular Weight	245.27
Reaxy-Rn	8910648
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8910648&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.270 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	245.105 Da
Monoisotopic Mass	245.105 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	349.000
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

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(1R，4R)-Benzyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate - ≥95%, high purity , CAS No.1400808-09-4

Basic Description