Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 358.45308 [g/mol] Molecular Formula C17H32N3O5- H-Bond Donor 3 H-Bond Acceptor 8 Rotatable Bond Count 6 Exact Mass 358.234196 MonoIsotopic Mass 358.234196 Topological Polar Surface Area 116 Heavy Atom Count 25 Formal Charge -1 Complexity 352 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 2
[ Descriptors Computed from Structure]
IUPAC Name: but-2-enedioic acid;
N',N'-dimethyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethane-1,
2-diamine
Canonical SMILES: CC1(CC(CC(N1[O-])(C)C)NCCN(C)C)C.C(=CC(=O)O)C(=O)O
InChI: InChI=1/C13H28N3O.C4H4O4/c1-12(2)9-11(14-7-8-15(5)6)10-13(3,
4)16(12)17;5-3(6)1-2-4(7)8/h11,14H,7-10H2,1-6H3;1-2H,(H,5,6)(H,7,
8)/q-1;/f/h;5,7H
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