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1159825-34-9 | 2H-Pyrazino[1,2-a]pyrazine-2-carboxylic acid, octahydro-, 1,1-dimethylethyl ester
CAS No: 1159825-34-9 Catalog No: AG000HBP MDL No:MFCD09753916
Product Description
Catalog Number:
AG000HBP
Chemical Name:
2H-Pyrazino[1,2-a]pyrazine-2-carboxylic acid, octahydro-, 1,1-dimethylethyl ester
CAS Number:
1159825-34-9
Molecular Formula:
C12H23N3O2
Molecular Weight:
241.3299
MDL Number:
MFCD09753916
IUPAC Name:
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine-2-carboxylate
InChI:
InChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-7-6-14-5-4-13-8-10(14)9-15/h10,13H,4-9H2,1-3H3
InChI Key:
QXCNNDSNMODGFJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN2C(C1)CNCC2)OC(C)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.179g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.335g/mol
Monoisotopic Mass:
241.179g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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