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1269449-40-2 | 1,2-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, hydrochloride (1:1)
CAS No: 1269449-40-2 Catalog No: AG000WG3 MDL No:MFCD11101336
Product Description
Catalog Number:
AG000WG3
Chemical Name:
1,2-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, hydrochloride (1:1)
CAS Number:
1269449-40-2
Molecular Formula:
C11H21ClN2O4
Molecular Weight:
280.7484
MDL Number:
MFCD11101336
IUPAC Name:
1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;hydrochloride
InChI:
InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;/h8,12H,5-7H2,1-4H3;1H
InChI Key:
MESGHYLTRXYTHM-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCCN1C(=O)OC(C)(C)C.Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
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