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68877-28-1 | 1-[(dodecylphenyl)methyl]quinolinium
CAS No: 68877-28-1 Catalog No: AG00FET6 MDL No:
Product Description
Catalog Number:
AG00FET6
Chemical Name:
1-[(dodecylphenyl)methyl]quinolinium
CAS Number:
68877-28-1
IUPAC Name:
1-[(2-dodecylphenyl)methyl]quinolin-1-ium
InChI:
InChI=1S/C28H38N/c1-2-3-4-5-6-7-8-9-10-11-17-25-18-12-13-20-27(25)24-29-23-16-21-26-19-14-15-22-28(26)29/h12-16,18-23H,2-11,17,24H2,1H3/q+1
InChI Key:
CNLZTMKTPMBSIV-UHFFFAOYSA-N
EC Number:
272-555-9
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.3g/mol
Formal Charge:
1
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.619g/mol
Monoisotopic Mass:
388.3g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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