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tert-butyl (2S)-2-(cyanomethyl)azetidine-1-carboxylate - 97%, high purity , CAS No.228868-28-8

COA

Grade & Purity:

≥97%

Cas Number: 228868-28-8
Molecular Weight: 196.25
PubChem CID: 55275929

In stock

Item Number

T632508

Grouped product items
SKU	Size	Availability	Price
T632508-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
T632508-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$265.90
T632508-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$443.90
T632508-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$664.90
T632508-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,326.90

Basic Description

Synonyms	228868-28-8 \| (S)-tert-Butyl 2-(cyanomethyl)azetidine-1-carboxylate \| (S)-tert-Butyl2-(cyanomethyl)azetidine-1-carboxylate \| SCHEMBL3385559 \| MFCD09751115 \| AKOS006326252 \| BS-44621 \| CS-0188248 \| t-Butyl (S)-2-(cyanomethyl)azetidine-1-carboxylate \| TERT-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azetidines
    - Subclass Azetidinecarboxylic acids or derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Azetidinecarboxylic acids
Alternative Parents	Carbamate esters Tertiary amines Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidinecarboxylic acid - Carbamic acid ester - Tertiary amine - Carbonitrile - Nitrile - Azacycle - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
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 (2S)-2-(cyanomethyl)azetidine-1-carboxylate
INCHI	InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-7-5-8(12)4-6-11/h8H,4-5,7H2,1-3H3/t8-/m1/s1
InChIKey	JCFPLUGJQHTYDQ-MRVPVSSYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC1CC#N
Isomeric SMILES	CC(C)(C)OC(=O)N1CC[C@H]1CC#N
PubChem CID	55275929
Molecular Weight	196.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.250 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	196.121 Da
Monoisotopic Mass	196.121 Da
Topological Polar Surface Area	53.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	272.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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