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tert-butyl 3-ethylideneazetidine-1-carboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

PubChem CID: 52180841

In stock

Item Number

T178306

Grouped product items
SKU	Size	Availability	Price	Qty
T178306-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,168.90

Basic Description

Synonyms	tert-Butyl 3-ethylideneazetidine-1-carboxylate \| 934665-46-0 \| 1-Boc-3-ethylideneazetidine \| MFCD12031238 \| SCHEMBL1488405 \| DTXSID40680269 \| BBIQBESQCNUEAJ-UHFFFAOYSA-N \| AKOS006316677 \| PB28375 \| AS-34100 \| SY234032 \| CS-0048300 \| tert-Butyl3-ethylideneazetidine-1-carboxylate \|
Specifications & Purity	≥97%
Storage Temp	Room temperature
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 Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidinecarboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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 3-ethylideneazetidine-1-carboxylate
INCHI	InChI=1S/C10H17NO2/c1-5-8-6-11(7-8)9(12)13-10(2,3)4/h5H,6-7H2,1-4H3
InChIKey	BBIQBESQCNUEAJ-UHFFFAOYSA-N
Smiles	CC=C1CN(C1)C(=O)OC(C)(C)C

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	1.200
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	230.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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