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125410-18-6 | 2,5-Piperazinedione, 3-methyl-6-(2-methylpropyl)-, trans- (9CI)
CAS No: 125410-18-6 Catalog No: AG000NNX MDL No:MFCD18836358
Product Description
Catalog Number:
AG000NNX
Chemical Name:
2,5-Piperazinedione, 3-methyl-6-(2-methylpropyl)-, trans- (9CI)
CAS Number:
125410-18-6
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
MDL Number:
MFCD18836358
IUPAC Name:
(3R,6S)-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
InChI:
InChI=1S/C9H16N2O2/c1-5(2)4-7-9(13)10-6(3)8(12)11-7/h5-7H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-,7+/m1/s1
InChI Key:
DBJPZCJQDRPOME-RQJHMYQMSA-N
SMILES:
CC(C[C@@H]1NC(=O)[C@H](NC1=O)C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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