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309915-46-6

309915-46-6 | 1-Piperazinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5S)-

CAS No: 309915-46-6 Catalog No: AG0031UE MDL No:MFCD06797728

Product Description

Catalog Number:
AG0031UE
Chemical Name:
1-Piperazinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester, (2R,5S)-
CAS Number:
309915-46-6
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD06797728
IUPAC Name:
tert-butyl (2R,5S)-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+/m0/s1
InChI Key:
PGZCVLUQTJRRAA-DTWKUNHWSA-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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