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1251903-83-9 | 1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester, hydrochloride (1:1), (3R)-
CAS No: 1251903-83-9 Catalog No: AG000NC8 MDL No:MFCD11101236
Product Description
Catalog Number:
AG000NC8
Chemical Name:
1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester, hydrochloride (1:1), (3R)-
CAS Number:
1251903-83-9
Molecular Formula:
C11H21ClN2O4
Molecular Weight:
280.7484
MDL Number:
MFCD11101236
IUPAC Name:
1-O-tert-butyl 3-O-methyl (3R)-piperazine-1,3-dicarboxylate;hydrochloride
InChI:
InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4;/h8,12H,5-7H2,1-4H3;1H/t8-;/m1./s1
InChI Key:
MEZKKNPBRVNHQT-DDWIOCJRSA-N
SMILES:
COC(=O)[C@@H]1NCCN(C1)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.749g/mol
Monoisotopic Mass:
280.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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