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Home > Imidazoles > 813458-73-0
813458-73-0 | 1H-Imidazolium, 1,3-bis(3-cyanopropyl)-, chloride
CAS No: 813458-73-0 Catalog No: AG0059QN MDL No:
Product Description
Catalog Number:
AG0059QN
Chemical Name:
1H-Imidazolium, 1,3-bis(3-cyanopropyl)-, chloride
CAS Number:
813458-73-0
Molecular Formula:
C11H17ClN4
Molecular Weight:
240.7325
IUPAC Name:
4-[3-(3-cyanopropyl)imidazol-3-ium-1-yl]butanenitrile;chloride
InChI:
InChI=1S/C11H15N4.ClH/c12-5-1-3-7-14-9-10-15(11-14)8-4-2-6-13;/h9-11H,1-4,7-8H2;1H/q+1;/p-1
InChI Key:
ACFNVKKYJRDMAS-UHFFFAOYSA-M
SMILES:
N#CCCCN1C=C[NH+](C1)CCCC#N.[Cl-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.719g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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