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606-55-3 | 1-ETHYLQUINALDINIUM IODIDE
CAS No: 606-55-3 Catalog No: AG003EBL MDL No:MFCD00031829
Product Description
Catalog Number:
AG003EBL
Chemical Name:
1-ETHYLQUINALDINIUM IODIDE
CAS Number:
606-55-3
Molecular Formula:
C12H14IN
Molecular Weight:
299.1507
MDL Number:
MFCD00031829
IUPAC Name:
1-ethyl-2-methylquinolin-1-ium;iodide
InChI:
InChI=1S/C12H14N.HI/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
OEVSHJVOKFWBJY-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C)ccc2c1cccc2.[I-]
EC Number:
210-120-7
NSC Number:
476
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.155g/mol
Monoisotopic Mass:
299.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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