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105825-13-6 | Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-1-octyl-
CAS No: 105825-13-6 Catalog No: AG008518 MDL No:
Product Description
Catalog Number:
AG008518
Chemical Name:
Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-1-octyl-
CAS Number:
105825-13-6
Molecular Formula:
C22H35NO
Molecular Weight:
329.5194
IUPAC Name:
6-ethoxy-2,2,4-trimethyl-1-octylquinoline
InChI:
InChI=1S/C22H35NO/c1-6-8-9-10-11-12-15-23-21-14-13-19(24-7-2)16-20(21)18(3)17-22(23,4)5/h13-14,16-17H,6-12,15H2,1-5H3
InChI Key:
QPMQUGXWRITCSC-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1c2ccc(cc2C(=CC1(C)C)C)OCC
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.272g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.528g/mol
Monoisotopic Mass:
329.272g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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