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888972-67-6 | (S)-1-Boc-2-Propylpiperazine
CAS No: 888972-67-6 Catalog No: AG0048WW MDL No:MFCD07772097
Product Description
Catalog Number:
AG0048WW
Chemical Name:
(S)-1-Boc-2-Propylpiperazine
CAS Number:
888972-67-6
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD07772097
IUPAC Name:
tert-butyl (2S)-2-propylpiperazine-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-5-6-10-9-13-7-8-14(10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3/t10-/m0/s1
InChI Key:
PYTGOQORCFQPSZ-JTQLQIEISA-N
SMILES:
CCC[C@H]1CNCCN1C(=O)OC(C)(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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