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89060-90-2 | Pyrido[3,2-g]quinoline, 2,8-bis(1,1-dimethylethyl)-1,2-dihydro-2-methyl-
CAS No: 89060-90-2 Catalog No: AG0087KJ MDL No:
Product Description
Catalog Number:
AG0087KJ
Chemical Name:
Pyrido[3,2-g]quinoline, 2,8-bis(1,1-dimethylethyl)-1,2-dihydro-2-methyl-
CAS Number:
89060-90-2
Molecular Formula:
C21H28N2
Molecular Weight:
308.4604
IUPAC Name:
2,8-ditert-butyl-2-methyl-1H-pyrido[3,2-g]quinoline
InChI:
InChI=1S/C21H28N2/c1-19(2,3)18-9-8-14-12-15-10-11-21(7,20(4,5)6)23-17(15)13-16(14)22-18/h8-13,23H,1-7H3
InChI Key:
KVABCBWBYATSBL-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(n1)cc1c(c2)C=CC(N1)(C)C(C)(C)C)(C)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.469g/mol
Monoisotopic Mass:
308.225g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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