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3-tert-butoxycarbonyl-3-azabicyclo[3.1.1]heptane-6-carboxylic acid - 97%, high purity , CAS No.1427460-12-5

COA

Grade & Purity:

≥97%

Cas Number: 1427460-12-5
Molecular Weight: 241.28
MDL number: MFCD21642062
PubChem CID: 72207329

In stock

Item Number

T629147

Grouped product items
SKU	Size	Availability	Price
T629147-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$281.90
T629147-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$449.90
T629147-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$749.90
T629147-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,351.90

Basic Description

Synonyms	3-BOC-3-AZABICYCLO[3.1.1]HEPTANE-6-CARBOXYLIC ACID \| 1427460-12-5 \| 1250995-41-5 \| 3-(TERT-BUTOXYCARBONYL)-3-AZABICYCLO[3.1.1]HEPTANE-6-CARBOXYLIC ACID \| 3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-6-carboxylic acid \| MFCD21642062 \| SC
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	Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Carbamic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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	3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-6-carboxylic acid
INCHI	InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-5-7-4-8(6-13)9(7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKey	OQCJMHMUVJXYQH-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2CC(C1)C2C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC2CC(C1)C2C(=O)O
PubChem CID	72207329
Molecular Weight	241.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.280 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	241.131 Da
Monoisotopic Mass	241.131 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	335.000
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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