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1374975-96-8 | 1-Piperazinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2S,5R)-
CAS No: 1374975-96-8 Catalog No: AG0013D9 MDL No:
Product Description
Catalog Number:
AG0013D9
Chemical Name:
1-Piperazinecarboxylic acid, 2,5-dimethyl-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2S,5R)-
CAS Number:
1374975-96-8
Molecular Formula:
C11H23ClN2O2
Molecular Weight:
250.7655
IUPAC Name:
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C11H22N2O2.ClH/c1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5;/h8-9,12H,6-7H2,1-5H3;1H/t8-,9+;/m1./s1
InChI Key:
TWALJKZSNHQOBH-RJUBDTSPSA-N
SMILES:
C[C@H]1NC[C@@H](N(C1)C(=O)OC(C)(C)C)C.Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
250.145g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.767g/mol
Monoisotopic Mass:
250.145g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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