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Home > Quinoline > 447429-21-2
447429-21-2 | 1,1'-Biisoquinoline, 3,3',4,4'-tetrahydro-3,3,3',3'-tetramethyl-
CAS No: 447429-21-2 Catalog No: AG0071HD MDL No:
Product Description
Catalog Number:
AG0071HD
Chemical Name:
1,1'-Biisoquinoline, 3,3',4,4'-tetrahydro-3,3,3',3'-tetramethyl-
CAS Number:
447429-21-2
Molecular Formula:
C22H24N2
Molecular Weight:
316.4394
IUPAC Name:
1-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,3-dimethyl-4H-isoquinoline
InChI:
InChI=1S/C22H24N2/c1-21(2)13-15-9-5-7-11-17(15)19(23-21)20-18-12-8-6-10-16(18)14-22(3,4)24-20/h5-12H,13-14H2,1-4H3
InChI Key:
VPDDCFZETSMVOJ-UHFFFAOYSA-N
SMILES:
CC1(C)Cc2ccccc2C(=N1)C1=NC(C)(C)Cc2c1cccc2
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.448g/mol
Monoisotopic Mass:
316.194g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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