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259105-93-6 | 2,3-Piperazinedione, 1-methyl-4-[(1-methylethylidene)amino]-
CAS No: 259105-93-6 Catalog No: AG002QZM MDL No:
Product Description
Catalog Number:
AG002QZM
Chemical Name:
2,3-Piperazinedione, 1-methyl-4-[(1-methylethylidene)amino]-
CAS Number:
259105-93-6
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
IUPAC Name:
1-methyl-4-(propan-2-ylideneamino)piperazine-2,3-dione
InChI:
InChI=1S/C8H13N3O2/c1-6(2)9-11-5-4-10(3)7(12)8(11)13/h4-5H2,1-3H3
InChI Key:
UBIKVQZVYDZWIR-UHFFFAOYSA-N
SMILES:
CC(=NN1CCN(C(=O)C1=O)C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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