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24351-13-1 | 1H-BENZIMIDAZOLIUM, 5-CYANO-1,3-DIETHYL-2-METHYL-, IODIDE (1:1)
CAS No: 24351-13-1 Catalog No: AG007NNF MDL No:
Product Description
Catalog Number:
AG007NNF
Chemical Name:
1H-BENZIMIDAZOLIUM, 5-CYANO-1,3-DIETHYL-2-METHYL-, IODIDE (1:1)
CAS Number:
24351-13-1
Molecular Formula:
C13H18IN3
Molecular Weight:
343.2066
IUPAC Name:
1,3-diethyl-2-methyl-1,2-dihydrobenzimidazol-1-ium-5-carbonitrile;iodide
InChI:
InChI=1S/C13H17N3.HI/c1-4-15-10(3)16(5-2)13-8-11(9-14)6-7-12(13)15;/h6-8,10H,4-5H2,1-3H3;1H
InChI Key:
MLQPIOKHJJFBRM-UHFFFAOYSA-N
SMILES:
CCN1C(C)[NH+](c2c1cc(C#N)cc2)CC.[I-]
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.212g/mol
Monoisotopic Mass:
343.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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