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129779-30-2 | 1-Piperazinecarboxylic acid, 3,5-dimethyl-, 1,1-dimethylethyl ester, (3R,5S)-rel-
CAS No: 129779-30-2 Catalog No: AG000TOB MDL No:MFCD06795911
Product Description
Catalog Number:
AG000TOB
Chemical Name:
1-Piperazinecarboxylic acid, 3,5-dimethyl-, 1,1-dimethylethyl ester, (3R,5S)-rel-
CAS Number:
129779-30-2
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD06795911
IUPAC Name:
tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate
InChI:
InChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+
InChI Key:
NUZXPHIQZUYMOR-DTORHVGOSA-N
SMILES:
C[C@@H]1N[C@H](C)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
214.168g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.309g/mol
Monoisotopic Mass:
214.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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