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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1-Piperazinecarboxylic acid, 4-(cyanomethyl)-, 1,1-dimethylethyl ester

N#CCN1CCN(CC1)C(=O)OC(C)(C)C Request for Quotation
Chemical Name: 1-Piperazinecarboxylic acid, 4-(cyanomethyl)-, 1,1-dimethylethyl ester
CAS Number: 77290-31-4
Product Number: AG008NE7(AGN-PC-03HYMT)
Synonyms:
MDL No:
Molecular Formula: C11H19N3O2
Molecular Weight: 225.2875

Identification/Properties

Computed Properties
Molecular Weight:
225.292g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
225.148g/mol
Monoisotopic Mass:
225.148g/mol
Topological Polar Surface Area:
56.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
292
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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:
H302-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


1,1-Dimethylethyl 4-(cyanomethyl)-1-piperazinecarboxylate is a versatile compound widely used in chemical synthesis for its unique properties and applications. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its ability to undergo various chemical reactions and transformations makes it a key intermediate in the synthesis of complex organic molecules. In particular, 1,1-Dimethylethyl 4-(cyanomethyl)-1-piperazinecarboxylate is commonly employed in the production of drug candidates, such as antiviral agents and central nervous system drugs, due to its structural versatility and pharmaceutical potential. Additionally, this compound plays a crucial role in the development of novel materials and biochemical reagents, contributing significantly to the advancement of chemical research and innovation.