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Home > Imidazoles > 1186195-56-1
1186195-56-1 | 2-(4,5-DIHYDROIMIDAZOL-2-YL)ISOQUINOLINE HYDROCHLORIDE
CAS No: 1186195-56-1 Catalog No: AG008Y47 MDL No:
Product Description
Catalog Number:
AG008Y47
Chemical Name:
2-(4,5-DIHYDROIMIDAZOL-2-YL)ISOQUINOLINE HYDROCHLORIDE
CAS Number:
1186195-56-1
Molecular Formula:
C12H12ClN3
Molecular Weight:
233.6968
IUPAC Name:
3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline;hydrochloride
InChI:
InChI=1S/C12H11N3.ClH/c1-2-4-10-8-15-11(7-9(10)3-1)12-13-5-6-14-12;/h1-4,7-8H,5-6H2,(H,13,14);1H
InChI Key:
NIGHNKWLMSRCOZ-UHFFFAOYSA-N
SMILES:
C1CN=C(N1)c1ncc2c(c1)cccc2.Cl
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.699g/mol
Monoisotopic Mass:
233.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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