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90936-29-1 | Quinoline, 2-ethyl-1,2,3,4-tetrahydro-6-methyl-, hydrobromide
CAS No: 90936-29-1 Catalog No: AG006GDM MDL No:
Product Description
Catalog Number:
AG006GDM
Chemical Name:
Quinoline, 2-ethyl-1,2,3,4-tetrahydro-6-methyl-, hydrobromide
CAS Number:
90936-29-1
Molecular Formula:
C12H18BrN
Molecular Weight:
256.1820
IUPAC Name:
2-ethyl-6-methyl-1,2,3,4-tetrahydroquinoline;hydrobromide
InChI:
InChI=1S/C12H17N.BrH/c1-3-11-6-5-10-8-9(2)4-7-12(10)13-11;/h4,7-8,11,13H,3,5-6H2,1-2H3;1H
InChI Key:
QSAXQDUDNGHNLR-UHFFFAOYSA-N
SMILES:
CCC1CCc2c(N1)ccc(c2)C.Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.187g/mol
Monoisotopic Mass:
255.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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