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Home > Imidazoles > 683224-96-6
683224-96-6 | 1-(3-Cyanopropyl)-3-methylimidazolium chloride
CAS No: 683224-96-6 Catalog No: AG006N4T MDL No:
Product Description
Catalog Number:
AG006N4T
Chemical Name:
1-(3-Cyanopropyl)-3-methylimidazolium chloride
CAS Number:
683224-96-6
Molecular Formula:
C8H12ClN3
Molecular Weight:
185.6540
IUPAC Name:
4-(3-methylimidazol-3-ium-1-yl)butanenitrile;chloride
InChI:
InChI=1S/C8H12N3.ClH/c1-10-6-7-11(8-10)5-3-2-4-9;/h6-8H,2-3,5H2,1H3;1H/q+1;/p-1
InChI Key:
HGPSWUJKMXIBKA-UHFFFAOYSA-M
SMILES:
N#CCCC[n+]1ccn(c1)C.[Cl-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.655g/mol
Monoisotopic Mass:
185.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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