3-Morpholinecarbonitrile


Chemical Name: 3-Morpholinecarbonitrile
CAS Number: 97039-63-9
Product Number: AG00IJWF(AGN-PC-00MLCA)
Synonyms:
MDL No:
Molecular Formula: C5H8N2O
Molecular Weight: 112.1298

Identification/Properties


Computed Properties
Molecular Weight:
112.132g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
112.064g/mol
Monoisotopic Mass:
112.064g/mol
Topological Polar Surface Area:
45A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
115
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Morpholine-3-carbonitrile is a versatile compound commonly used in chemical synthesis for the production of various pharmaceuticals, agrochemicals, and intermediates. Its unique chemical structure makes it a valuable building block in the development of new organic compounds.In organic synthesis, Morpholine-3-carbonitrile serves as a key starting material for the preparation of diverse heterocyclic compounds. Its presence in the molecular structure imparts specific properties and functionalities to the target molecules, making it an essential component in medicinal chemistry and drug development.Additionally, Morpholine-3-carbonitrile can be used as a precursor in the synthesis of complex organic molecules, such as amino acids, peptides, and biologically active compounds. It undergoes various chemical reactions to yield substituted derivatives, which can exhibit enhanced biological activities or specific chemical properties.Furthermore, the application of Morpholine-3-carbonitrile extends to the preparation of dyes, polymers, and specialty chemicals. Its ability to participate in multiple synthetic pathways makes it a valuable tool for chemists and researchers seeking to design novel materials and compounds for various industrial applications.