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89228-28-4 | Quinoline, 2-ethyl-3,4-dihydro-6-methyl-, hydrobromide
CAS No: 89228-28-4 Catalog No: AG0042YW MDL No:
Product Description
Catalog Number:
AG0042YW
Chemical Name:
Quinoline, 2-ethyl-3,4-dihydro-6-methyl-, hydrobromide
CAS Number:
89228-28-4
Molecular Formula:
C12H16BrN
Molecular Weight:
254.1661
IUPAC Name:
2-ethyl-6-methyl-3,4-dihydroquinoline;hydrobromide
InChI:
InChI=1S/C12H15N.BrH/c1-3-11-6-5-10-8-9(2)4-7-12(10)13-11;/h4,7-8H,3,5-6H2,1-2H3;1H
InChI Key:
LKZROMARYUMWFM-UHFFFAOYSA-N
SMILES:
CCC1=Nc2c(CC1)cc(cc2)C.Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.171g/mol
Monoisotopic Mass:
253.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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