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Home > Imidazoles > 879866-74-7
879866-74-7 | 1-(3-Cyanopropyl)-3-methylimidazolium dicyanamide
CAS No: 879866-74-7 Catalog No: AG004HRY MDL No:
Product Description
Catalog Number:
AG004HRY
Chemical Name:
1-(3-Cyanopropyl)-3-methylimidazolium dicyanamide
CAS Number:
879866-74-7
Molecular Formula:
C10H12N6
Molecular Weight:
216.2425
IUPAC Name:
cyanoiminomethylideneazanide;4-(3-methylimidazol-3-ium-1-yl)butanenitrile
InChI:
InChI=1S/C8H12N3.C2N3/c1-10-6-7-11(8-10)5-3-2-4-9;3-1-5-2-4/h6-8H,2-3,5H2,1H3;/q+1;-1
InChI Key:
GPLYXNDEHINOHN-UHFFFAOYSA-N
SMILES:
N#CCCCn1cc[n+](c1)C.[N-]=C=NC#N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.112g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.248g/mol
Monoisotopic Mass:
216.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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