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1-tert-butoxycarbonyl-3-(hydroxymethyl)azetidine-3-carboxylic acid - 97%, high purity , CAS No.1778734-52-3

COA

Grade & Purity:

≥97%

Cas Number: 1778734-52-3
Molecular Weight: 231.24
PubChem CID: 99933949

In stock

Item Number

T630318

Grouped product items
SKU	Size	Availability	Price
T630318-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$459.90
T630318-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,847.90
T630318-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,693.90

Basic Description

Synonyms	1778734-52-3 \| 1-(TERT-BUTOXYCARBONYL)-3-(HYDROXYMETHYL)AZETIDINE-3-CARBOXYLIC ACID \| 1-(tert-butoxycarbonyl)-3-(hydroxymethyl)-3-azetidinecarboxylic acid \| 3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid \| 1-[(tert-butox
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	Beta hydroxy acids and derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidinecarboxylic acid - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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	3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
INCHI	InChI=1S/C10H17NO5/c1-9(2,3)16-8(15)11-4-10(5-11,6-12)7(13)14/h12H,4-6H2,1-3H3,(H,13,14)
InChIKey	CUNYFDNZNOYYMD-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)(CO)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)(CO)C(=O)O
PubChem CID	99933949
Molecular Weight	231.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.250 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	231.111 Da
Monoisotopic Mass	231.111 Da
Topological Polar Surface Area	87.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	301.000
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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