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674792-05-3 | 1-Piperazinecarboxylicacid, 2-(1-methylethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS No: 674792-05-3 Catalog No: AG0038HQ MDL No:MFCD03787918
Product Description
Catalog Number:
AG0038HQ
Chemical Name:
1-Piperazinecarboxylicacid, 2-(1-methylethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
674792-05-3
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD03787918
IUPAC Name:
tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-9(2)10-8-13-6-7-14(10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t10-/m1/s1
InChI Key:
NZTWGWFHWJARJX-SNVBAGLBSA-N
SMILES:
CC([C@H]1CNCCN1C(=O)OC(C)(C)C)C
Properties
Complexity:
246
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:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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