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114362-46-8 | 2-Piperazinone, 3,6-bis(1-methylethyl)-, (3R,6S)-rel-
CAS No: 114362-46-8 Catalog No: AG000B5I MDL No:
Product Description
Catalog Number:
AG000B5I
Chemical Name:
2-Piperazinone, 3,6-bis(1-methylethyl)-, (3R,6S)-rel-
CAS Number:
114362-46-8
Molecular Formula:
C10H20N2O
Molecular Weight:
184.2786
IUPAC Name:
(3S,6R)-3,6-di(propan-2-yl)piperazin-2-one
InChI:
InChI=1S/C10H20N2O/c1-6(2)8-5-11-9(7(3)4)10(13)12-8/h6-9,11H,5H2,1-4H3,(H,12,13)/t8-,9-/m0/s1
InChI Key:
AVSBPSCOEIECKF-IUCAKERBSA-N
SMILES:
CC([C@H]1CN[C@@H](C(=O)N1)C(C)C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
184.158g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.283g/mol
Monoisotopic Mass:
184.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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