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Home > Quinoline > 111634-86-7
111634-86-7 | 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-, hydrochloride
CAS No: 111634-86-7 Catalog No: AG0079EG MDL No:
Product Description
Catalog Number:
AG0079EG
Chemical Name:
1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-, hydrochloride
CAS Number:
111634-86-7
Molecular Formula:
C11H14ClN
Molecular Weight:
195.6886
IUPAC Name:
9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;hydrochloride
InChI:
InChI=1S/C11H13N.ClH/c1-2-4-10-9(3-1)8-5-6-11(10)12-7-8;/h1-4,8,11-12H,5-7H2;1H
InChI Key:
QGOBXWJXLHSVCI-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C1CCC2CN1.Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.69g/mol
Monoisotopic Mass:
195.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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