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1380112-29-7 | 4(1H)-Pyridinone, 2-(aminomethyl)-1,5-bis(phenylmethoxy)-, methanesulfonate (1:1)
CAS No: 1380112-29-7 Catalog No: AG0017UA MDL No:
Product Description
Catalog Number:
AG0017UA
Chemical Name:
4(1H)-Pyridinone, 2-(aminomethyl)-1,5-bis(phenylmethoxy)-, methanesulfonate (1:1)
CAS Number:
1380112-29-7
Molecular Formula:
C21H24N2O6S
Molecular Weight:
432.4901
IUPAC Name:
2-(aminomethyl)-1,5-bis(phenylmethoxy)pyridin-4-one;methanesulfonic acid
InChI:
InChI=1S/C20H20N2O3.CH4O3S/c21-12-18-11-19(23)20(24-14-16-7-3-1-4-8-16)13-22(18)25-15-17-9-5-2-6-10-17;1-5(2,3)4/h1-11,13H,12,14-15,21H2;1H3,(H,2,3,4)
InChI Key:
LKHDSRPTPXXPHE-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.NCc1cc(=O)c(cn1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.136g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.491g/mol
Monoisotopic Mass:
432.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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