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2-tert-butoxycarbonyl-2-azabicyclo[2.1.1]hexane-3-carboxylic acid - 97%, high purity , CAS No.1056020-87-1

COA

Grade & Purity:

≥97%

Cas Number: 1056020-87-1
Molecular Weight: 227.26
EC Number: 848-091-3
MDL number: MFCD17016722
PubChem CID: 83823596

In stock

Item Number

T626685

Grouped product items
SKU	Size	Availability	Price
T626685-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
T626685-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
T626685-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90
T626685-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90

Basic Description

Synonyms	AB87412 \| CS-0030107 \| 2-BOC-2-AZABICYCLO[2.1.1]HEXANE-3-CARBOXYLIC ACID \| AB87543 \| MFCD17016722 \| (1s,4s)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid \| 2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.1.1]hexane-3-carboxylicacid \| 1056
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Alpha amino acids and derivatives
Alternative Parents	Pyrrolidine carboxylic acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
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-3-carboxylic acid
INCHI	InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-4-6(5-7)8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey	RAOHNBRXEIPXBB-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C2CC(C2)C1C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1C2CC(C2)C1C(=O)O
Alternate CAS	1056020-87-1
PubChem CID	83823596
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	1.300
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	327.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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