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Home > Pyridines > 869881-56-1
869881-56-1 | 1,4-Benzenedicarboxamide, N,N'-bis(4-pyridinylmethyl)-, dihydrate
CAS No: 869881-56-1 Catalog No: AG004NX2 MDL No:
Product Description
Catalog Number:
AG004NX2
Chemical Name:
1,4-Benzenedicarboxamide, N,N'-bis(4-pyridinylmethyl)-, dihydrate
CAS Number:
869881-56-1
Molecular Formula:
C20H22N4O4
Molecular Weight:
382.4131
IUPAC Name:
1-N,4-N-bis(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide;dihydrate
InChI:
InChI=1S/C20H18N4O2.2H2O/c25-19(23-13-15-5-9-21-10-6-15)17-1-2-18(4-3-17)20(26)24-14-16-7-11-22-12-8-16;;/h1-12H,13-14H2,(H,23,25)(H,24,26);2*1H2
InChI Key:
MLCDVPQRQRBXPM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)NCc1ccncc1)NCc1ccncc1.O.O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.164g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
382.42g/mol
Monoisotopic Mass:
382.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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