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tert-butyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate - 97%, high purity , CAS No.1932398-86-1

COA

Grade & Purity:

≥97%

Cas Number: 1932398-86-1
Molecular Weight: 213.28
MDL number: MFCD22209823
PubChem CID: 54178389

In stock

Item Number

T631116

Grouped product items
SKU	Size	Availability	Price
T631116-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$109.90
T631116-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$407.90
T631116-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$813.90

Basic Description

Synonyms	1932398-86-1 \| 198835-02-8 \| TERT-BUTYL (1R,4S,6R)-6-HYDROXY-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE \| (1R,4S,6R)-tert-Butyl 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate \| Rel-(1R,4S,6R)-tert-Butyl 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Pyrrolidine carboxylic acids Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Carbamic acid ester - Pyrrolidine - Cyclic alcohol - Secondary alcohol - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - 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
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	tert-butyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
INCHI	InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)9(13)5-7/h7-9,13H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKey	PABFVGKPNHVSCG-DJLDLDEBSA-N
Smiles	CC(C)(C)OC(=O)N1CC2CC1C(C2)O
Isomeric SMILES	CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H](C2)O
PubChem CID	54178389
Molecular Weight	213.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	213.270 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	213.136 Da
Monoisotopic Mass	213.136 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	271.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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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