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1013-86-1 | Pyridinium, 3-[(diethylamino)carbonyl]-1-methyl-, iodide (1:1)
CAS No: 1013-86-1 Catalog No: AG00046P MDL No:
Product Description
Catalog Number:
AG00046P
Chemical Name:
Pyridinium, 3-[(diethylamino)carbonyl]-1-methyl-, iodide (1:1)
CAS Number:
1013-86-1
Molecular Formula:
C11H17IN2O
Molecular Weight:
320.1700
IUPAC Name:
N,N-diethyl-1-methylpyridin-1-ium-3-carboxamide;iodide
InChI:
InChI=1S/C11H17N2O.HI/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10;/h6-9H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key:
BARJIPFXNUEVHK-UHFFFAOYSA-M
SMILES:
CCN(C(=O)c1ccc[n+](c1)C)CC.[I-]
NSC Number:
69799
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.174g/mol
Monoisotopic Mass:
320.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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