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1171580-64-5 | 2-Quinolinamine, 6-bromo-3-ethyl-, hydrochloride (1:1)
CAS No: 1171580-64-5 Catalog No: AG000DT2 MDL No:
Product Description
Catalog Number:
AG000DT2
Chemical Name:
2-Quinolinamine, 6-bromo-3-ethyl-, hydrochloride (1:1)
CAS Number:
1171580-64-5
Molecular Formula:
C11H12BrClN2
Molecular Weight:
287.5834
IUPAC Name:
6-bromo-3-ethylquinolin-2-amine;hydrochloride
InChI:
InChI=1S/C11H11BrN2.ClH/c1-2-7-5-8-6-9(12)3-4-10(8)14-11(7)13;/h3-6H,2H2,1H3,(H2,13,14);1H
InChI Key:
OMMUKBRXATUDMX-UHFFFAOYSA-N
SMILES:
CCc1cc2cc(Br)ccc2nc1N.Cl
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.987g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.585g/mol
Monoisotopic Mass:
285.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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