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tert-Butyl 3-cyanomorpholine-4-carboxylate - ≥97%, high purity , CAS No.518047-40-0

COA

Grade & Purity:

≥97%

Cas Number: 518047-40-0
Molecular Weight: 212.25
PubChem CID: 21098190

In stock

Item Number

T729949

Grouped product items
SKU	Size	Availability	Price
T729949-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
T729949-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90
T729949-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$406.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxazinanes
    - Subclass Morpholines
      - Level5 Morpholine carboxylic acids and derivatives
        Level6 Morpholine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxazinanes
Subclass	Morpholines
Intermediate Tree Nodes	Morpholine carboxylic acids and derivatives
Direct Parent	Morpholine carboxylic acids
Alternative Parents	Carbamate esters Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Morpholine-4-carboxylic acid - Carbamic acid ester - Oxacycle - Azacycle - Nitrile - Carbonitrile - Ether - Dialkyl ether - Organopnictogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups.
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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	tert-butyl 3-cyanomorpholine-4-carboxylate
INCHI	InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11/h8H,4-5,7H2,1-3H3
InChIKey	QSBSEJKNKHZYKD-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCOCC1C#N
Isomeric SMILES	CC(C)(C)OC(=O)N1CCOCC1C#N
PubChem CID	21098190
Molecular Weight	212.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.250 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	212.116 Da
Monoisotopic Mass	212.116 Da
Topological Polar Surface Area	62.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	287.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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