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919786-44-0 | Quinoline, 3-(3,4-dihydro-4,4-dimethyl-1-isoquinolinyl)-
CAS No: 919786-44-0 Catalog No: AG006HO8 MDL No:
Product Description
Catalog Number:
AG006HO8
Chemical Name:
Quinoline, 3-(3,4-dihydro-4,4-dimethyl-1-isoquinolinyl)-
CAS Number:
919786-44-0
Molecular Formula:
C20H18N2
Molecular Weight:
286.3703
IUPAC Name:
4,4-dimethyl-1-quinolin-3-yl-3H-isoquinoline
InChI:
InChI=1S/C20H18N2/c1-20(2)13-22-19(16-8-4-5-9-17(16)20)15-11-14-7-3-6-10-18(14)21-12-15/h3-12H,13H2,1-2H3
InChI Key:
QUCNDVCOWIYYPX-UHFFFAOYSA-N
SMILES:
CC1(C)CN=C(c2c1cccc2)c1cnc2c(c1)cccc2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.378g/mol
Monoisotopic Mass:
286.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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