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448245-52-1 | 1-Butyl-3-Methylimidazolium Dicyamide
CAS No: 448245-52-1 Catalog No: AG003E69 MDL No:MFCD07784457
Product Description
Catalog Number:
AG003E69
Chemical Name:
1-Butyl-3-Methylimidazolium Dicyamide
CAS Number:
448245-52-1
Molecular Formula:
C10H15N5
Molecular Weight:
205.2596
MDL Number:
MFCD07784457
IUPAC Name:
1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide
InChI:
InChI=1S/C8H15N2.C2N3/c1-3-4-5-10-7-6-9(2)8-10;3-1-5-2-4/h6-8H,3-5H2,1-2H3;/q+1;-1
InChI Key:
ICIVTHOGIQHZRY-UHFFFAOYSA-N
SMILES:
CCCCn1cc[n+](c1)C.N#C[N-]C#N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.133g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.265g/mol
Monoisotopic Mass:
205.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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