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18940-58-4 | Piperazine, 1,4-bis(2-methyl-1-oxopropyl)- (9CI)
CAS No: 18940-58-4 Catalog No: AG002DNN MDL No:
Product Description
Catalog Number:
AG002DNN
Chemical Name:
Piperazine, 1,4-bis(2-methyl-1-oxopropyl)- (9CI)
CAS Number:
18940-58-4
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
IUPAC Name:
2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
InChI:
InChI=1S/C12H22N2O2/c1-9(2)11(15)13-5-7-14(8-6-13)12(16)10(3)4/h9-10H,5-8H2,1-4H3
InChI Key:
RHJOHGKHWICERH-UHFFFAOYSA-N
SMILES:
CC(C(=O)N1CCN(CC1)C(=O)C(C)C)C
Properties
Complexity:
238
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:
0
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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