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tert-butyl 3-(N-hydroxycarbamimidoyl)azetidine-1-carboxylate - 97%, high purity , CAS No.1309207-05-3

COA

Grade & Purity:

≥97%

Cas Number: 1309207-05-3
Molecular Weight: 215.25
PubChem CID: 88941927

In stock

Item Number

T628188

Grouped product items
SKU	Size	Availability	Price	Qty
T628188-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$217.90
T628188-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,020.90

Basic Description

Synonyms	1309207-05-3 \| TERT-BUTYL 3-(N-HYDROXYCARBAMIMIDOYL)AZETIDINE-1-CARBOXYLATE \| tert-butyl 3-(N'-hydroxycarbamimidoyl)azetidine-1-carboxylate \| tert-Butyl 3-(N'-hydroxycarbamimidoyl)-azetidine-1-carboxylate \| tert-butyl 3-[(Z)-N'-hydroxycarbamimidoyl]azetid
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 Amidoximes Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidinecarboxylic acid - Amidoxime - Carbamic acid ester - Azacycle - Amidine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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-[(Z)-N'-hydroxycarbamimidoyl]azetidine-1-carboxylate
INCHI	InChI=1S/C9H17N3O3/c1-9(2,3)15-8(13)12-4-6(5-12)7(10)11-14/h6,14H,4-5H2,1-3H3,(H2,10,11)
InChIKey	LKMSPPMVVCKIPS-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)C(=NO)N
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)/C(=N/O)/N
PubChem CID	88941927
Molecular Weight	215.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	215.250 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	215.127 Da
Monoisotopic Mass	215.127 Da
Topological Polar Surface Area	88.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	277.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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