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181955-79-3 | 1,2,4-Piperazinetricarboxylic acid, 1,4-bis(1,1-dimethylethyl) ester
CAS No: 181955-79-3 Catalog No: AG00238T MDL No:MFCD02179115
Product Description
Catalog Number:
AG00238T
Chemical Name:
1,2,4-Piperazinetricarboxylic acid, 1,4-bis(1,1-dimethylethyl) ester
CAS Number:
181955-79-3
Molecular Formula:
C15H25N2O6-
Molecular Weight:
329.3688
MDL Number:
MFCD02179115
IUPAC Name:
1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
InChI:
InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)
InChI Key:
IIZGWFQKLVCLLA-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(C(C1)C(=O)[O-])C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.381g/mol
Monoisotopic Mass:
330.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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