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tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate - 97%, high purity , CAS No.936551-50-7

COA

Grade & Purity:

≥97%

Cas Number: 936551-50-7
Molecular Weight: 183.25
EC Number: 839-386-8
PubChem CID: 58077199

In stock

Item Number

T635219

Grouped product items
SKU	Size	Availability	Price
T635219-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
T635219-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$299.90
T635219-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$499.90
T635219-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90

Basic Description

Synonyms	3-Aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester \| F88303 \| SCHEMBL4224986 \| SY214498 \| PB48253 \| MFCD14525732 \| PS-16036 \| tert-butyl3-azabicyclo[3.1.0]hexane-3-carboxylate \| tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate \| EN300-267845
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 Tertiary amines Azacyclic compounds 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 - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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	tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate
INCHI	InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-5-7-4-8(7)6-11/h7-8H,4-6H2,1-3H3
InChIKey	GLWHHMBAMGJDAE-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2CC2C1
Isomeric SMILES	CC(C)(C)OC(=O)N1CC2CC2C1
Alternate CAS	936551-50-7
PubChem CID	58077199
Molecular Weight	183.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	183.250 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	183.126 Da
Monoisotopic Mass	183.126 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	222.000
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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