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74639-21-7 | Quinolinium, 1-decyl-, iodide
CAS No: 74639-21-7 Catalog No: AG005J22 MDL No:
Product Description
Catalog Number:
AG005J22
Chemical Name:
Quinolinium, 1-decyl-, iodide
CAS Number:
74639-21-7
Molecular Formula:
C19H28IN
Molecular Weight:
397.3368
IUPAC Name:
1-decylquinolin-1-ium;iodide
InChI:
InChI=1S/C19H28N.HI/c1-2-3-4-5-6-7-8-11-16-20-17-12-14-18-13-9-10-15-19(18)20;/h9-10,12-15,17H,2-8,11,16H2,1H3;1H/q+1;/p-1
InChI Key:
KBLLTVSGHNOYGZ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCC[n+]1cccc2c1cccc2.[I-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.344g/mol
Monoisotopic Mass:
397.127g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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