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123005-17-4 | Quinoline, 2,4-dicyclohexyl-
CAS No: 123005-17-4 Catalog No: AG000JYA MDL No:
Product Description
Catalog Number:
AG000JYA
Chemical Name:
Quinoline, 2,4-dicyclohexyl-
CAS Number:
123005-17-4
Molecular Formula:
C21H27N
Molecular Weight:
293.4458
IUPAC Name:
2,4-dicyclohexylquinoline
InChI:
InChI=1S/C21H27N/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h7-8,13-17H,1-6,9-12H2
InChI Key:
MLGODCGEJFVZQR-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)c1nc2ccccc2c(c1)C1CCCCC1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.214g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.454g/mol
Monoisotopic Mass:
293.214g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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