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2-tert-butoxycarbonyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid - 97%, high purity , CAS No.1279894-35-7

COA

Grade & Purity:

≥97%

Cas Number: 1279894-35-7
Molecular Weight: 227.26
EC Number: 846-723-2
PubChem CID: 49757574

In stock

Item Number

T628078

Grouped product items
SKU	Size	Availability	Price
T628078-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$467.90
T628078-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,873.90
T628078-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,745.90

Basic Description

Synonyms	2-(tert-butoxycarbonyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid \| AB86422 \| PB26816 \| SB11760 \| AB86229 \| AKOS015994510 \| exo-2-tert-butoxycarbonyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid \| AB86425 \| AT24455 \| 2-[(tert-butoxy)carbonyl]-2-azabicycl
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Pyrrolidine carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidine carboxylic acids
Alternative Parents	Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Pyrrolidine carboxylic acid - Carbamic acid ester - Amino acid or derivatives - Tertiary amine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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	2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
INCHI	InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-6-4-7(12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey	VGONMHFNYUTBCO-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2CC1C2C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC2CC1C2C(=O)O
Alternate CAS	615575-74-1
PubChem CID	49757574
Molecular Weight	227.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	227.260 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	227.116 Da
Monoisotopic Mass	227.116 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	333.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
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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