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1007112-88-0 | 1-Piperazinecarboxylic acid, 3-(1,1-dimethylethyl)-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1007112-88-0 Catalog No: AG0002ON MDL No:MFCD08686624
Product Description
Catalog Number:
AG0002ON
Chemical Name:
1-Piperazinecarboxylic acid, 3-(1,1-dimethylethyl)-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1007112-88-0
Molecular Formula:
C13H26N2O2
Molecular Weight:
242.3577
MDL Number:
MFCD08686624
IUPAC Name:
tert-butyl (3S)-3-tert-butylpiperazine-1-carboxylate
InChI:
InChI=1S/C13H26N2O2/c1-12(2,3)10-9-15(8-7-14-10)11(16)17-13(4,5)6/h10,14H,7-9H2,1-6H3/t10-/m1/s1
InChI Key:
LCTYDUNZQLEACC-SNVBAGLBSA-N
SMILES:
O=C(N1CCN[C@H](C1)C(C)(C)C)OC(C)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
242.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.363g/mol
Monoisotopic Mass:
242.199g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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