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1240586-48-4 | 1-Piperazinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5R)-
CAS No: 1240586-48-4 Catalog No: AG000LHL MDL No:MFCD08686669
Product Description
Catalog Number:
AG000LHL
Chemical Name:
1-Piperazinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5R)-
CAS Number:
1240586-48-4
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD08686669
IUPAC Name:
tert-butyl (2R,5R)-2,5-dimethylpiperazine-1-carboxylate
InChI:
InChI=1S/C11H22N2O2/c1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9-/m1/s1
InChI Key:
PGZCVLUQTJRRAA-RKDXNWHRSA-N
SMILES:
C[C@H]1NC[C@H](N(C1)C(=O)OC(C)(C)C)C
Properties
Complexity:
235
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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