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82078-98-6 | HEPTADECENYL IMIDAZOLINIUM CHLORIDE
CAS No: 82078-98-6 Catalog No: AG0052OW MDL No:
Product Description
Catalog Number:
AG0052OW
Chemical Name:
HEPTADECENYL IMIDAZOLINIUM CHLORIDE
CAS Number:
82078-98-6
Molecular Formula:
C20H39ClN2
Molecular Weight:
342.9901
IUPAC Name:
1-heptadec-1-enyl-4,5-dihydro-1H-imidazol-1-ium;chloride
InChI:
InChI=1S/C20H38N2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-21-20-22;/h16,18,20H,2-15,17,19H2,1H3;1H
InChI Key:
SNNQPSBBRXYCQS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC=C[NH+]1C=NCC1.[Cl-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.28g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.996g/mol
Monoisotopic Mass:
342.28g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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