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exo-3-boc-3-azabicyclo[3.1.0]hexane-6-methanol - 97%, high purity , CAS No.419572-18-2

COA

Grade & Purity:

≥97%

Cas Number: 419572-18-2
Molecular Weight: 213.277
PubChem CID: 49757489
PubChem SID: 504770896

In stock

Item Number

E176452

Grouped product items
SKU	Size	Availability	Price
E176452-250mg	250mg	7	$62.90
E176452-1g	1g	5	$209.90
E176452-5g	5g	2	$941.90

Basic Description

Synonyms	419572-18-2 \| 827599-21-3 \| tert-butyl (1R,5S,6R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate \| EXO-3-BOC-3-AZABICYCLO[3.1.0]HEXANE-6-METHANOL \| ENDO-3-BOC-3-AZABICYCLO[3.1.0]HEXANE-6-METHANOL \| (1R,5S,6R)-TERT-BUTYL 6-(HYDROXYMETHYL)-3-AZABICYCLO[3.1
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Tertiary amines Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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

Pubchem Sid	504770896
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770896
IUPAC Name	tert-butyl (1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
INCHI	InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-4-7-8(5-12)9(7)6-13/h7-9,13H,4-6H2,1-3H3/t7-,8+,9?
InChIKey	JVIDPFGQYMFQDZ-JVHMLUBASA-N
Smiles	CC(C)(C)OC(=O)N1CC2C(C1)C2CO
Isomeric SMILES	CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2CO
Molecular Weight	213.277
Reaxy-Rn	15017269
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15017269&ln=

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

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6 results found

Lot Number	Certificate Type	Date	Item
F23161235	Certificate of Analysis	May 22, 2023	E176452
F23161227	Certificate of Analysis	May 22, 2023	E176452
F23161236	Certificate of Analysis	May 22, 2023	E176452
F23161229	Certificate of Analysis	May 22, 2023	E176452
F23161242	Certificate of Analysis	May 22, 2023	E176452
F23161241	Certificate of Analysis	May 22, 2023	E176452

Chemical and Physical Properties

Molecular Weight	213.270 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
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	259.000
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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