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114409-91-5 | Piperazine, 2,5-bis(1-methylethyl)-, (2S,5S)-
CAS No: 114409-91-5 Catalog No: AG000BA3 MDL No:
Product Description
Catalog Number:
AG000BA3
Chemical Name:
Piperazine, 2,5-bis(1-methylethyl)-, (2S,5S)-
CAS Number:
114409-91-5
Molecular Formula:
C10H22N2
Molecular Weight:
170.2951
IUPAC Name:
(2S,5S)-2,5-di(propan-2-yl)piperazine
InChI:
InChI=1S/C10H22N2/c1-7(2)9-5-12-10(6-11-9)8(3)4/h7-12H,5-6H2,1-4H3/t9-,10-/m1/s1
InChI Key:
DQGHKEGZZQBHHA-NXEZZACHSA-N
SMILES:
CC([C@@H]1NC[C@@H](NC1)C(C)C)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
170.178g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.3g/mol
Monoisotopic Mass:
170.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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