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113849-47-1 | Pyridinium, 3-(aminocarbonyl)-1-[4-(diethylamino)phenyl]-, chloride (1:1)
CAS No: 113849-47-1 Catalog No: AG0009X8 MDL No:
Product Description
Catalog Number:
AG0009X8
Chemical Name:
Pyridinium, 3-(aminocarbonyl)-1-[4-(diethylamino)phenyl]-, chloride (1:1)
CAS Number:
113849-47-1
Molecular Formula:
C16H20ClN3O
Molecular Weight:
305.8025
IUPAC Name:
1-[4-(diethylamino)phenyl]pyridin-1-ium-3-carboxamide;chloride
InChI:
InChI=1S/C16H19N3O.ClH/c1-3-18(4-2)14-7-9-15(10-8-14)19-11-5-6-13(12-19)16(17)20;/h5-12H,3-4H2,1-2H3,(H-,17,20);1H
InChI Key:
SODAHQTXUXFFJA-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)[n+]1cccc(c1)C(=O)N)CC.[Cl-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.129g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.806g/mol
Monoisotopic Mass:
305.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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