Home Carboxys tert-butyl 6,7-dioxo-octahydro-1H-pyrazino[1,2-a]piperazine-2-carboxylate

tert-butyl 6,7-dioxo-octahydro-1H-pyrazino[1,2-a]piperazine-2-carboxylate

CAS No.:
1384699-68-6
Catalog Number:
AG019ZS8
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
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Product Description
Catalog Number:
AG019ZS8
Chemical Name:
tert-butyl 6,7-dioxo-octahydro-1H-pyrazino[1,2-a]piperazine-2-carboxylate
CAS Number:
1384699-68-6
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
MDL Number:
MFCD22375325
IUPAC Name:
tert-butyl 6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
InChI:
InChI=1S/C12H19N3O4/c1-12(2,3)19-11(18)14-4-5-15-8(7-14)6-13-9(16)10(15)17/h8H,4-7H2,1-3H3,(H,13,16)
InChI Key:
TYBJHKVZZXZMLQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN2C(C1)CNC(=O)C2=O)OC(C)(C)C
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.138g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.301g/mol
Monoisotopic Mass:
269.138g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties