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1217825-46-1 | 1-Piperazinecarboxylic acid, 2-[(dimethylamino)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2R)-
CAS No: 1217825-46-1 Catalog No: AG0015ZT MDL No:
Product Description
Catalog Number:
AG0015ZT
Chemical Name:
1-Piperazinecarboxylic acid, 2-[(dimethylamino)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2R)-
CAS Number:
1217825-46-1
Molecular Formula:
C12H24ClN3O3
Molecular Weight:
293.7903
IUPAC Name:
tert-butyl (2R)-2-(dimethylcarbamoyl)piperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C12H23N3O3.ClH/c1-12(2,3)18-11(17)15-7-6-13-8-9(15)10(16)14(4)5;/h9,13H,6-8H2,1-5H3;1H/t9-;/m1./s1
InChI Key:
LBCLBCRUJZYOOS-SBSPUUFOSA-N
SMILES:
O=C([C@H]1CNCCN1C(=O)OC(C)(C)C)N(C)C.Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.151g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.792g/mol
Monoisotopic Mass:
293.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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