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10183-41-2 | 2,5-Piperazinedione, 3,6-dibutyl-
CAS No: 10183-41-2 Catalog No: AG0005NU MDL No:
Product Description
Catalog Number:
AG0005NU
Chemical Name:
2,5-Piperazinedione, 3,6-dibutyl-
CAS Number:
10183-41-2
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
IUPAC Name:
3,6-dibutylpiperazine-2,5-dione
InChI:
InChI=1S/C12H22N2O2/c1-3-5-7-9-11(15)14-10(8-6-4-2)12(16)13-9/h9-10H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChI Key:
YKBPHWQAFKPSME-UHFFFAOYSA-N
SMILES:
CCCCC1NC(=O)C(NC1=O)CCCC
NSC Number:
137382
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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