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7661-48-5 | 2-(3,3-Dimethylbutyl)quinoline
CAS No: 7661-48-5 Catalog No: AG00GPRP MDL No:
Product Description
Catalog Number:
AG00GPRP
Chemical Name:
2-(3,3-Dimethylbutyl)quinoline
CAS Number:
7661-48-5
IUPAC Name:
2-(3,3-dimethylbutyl)quinoline
InChI:
InChI=1S/C15H19N/c1-15(2,3)11-10-13-9-8-12-6-4-5-7-14(12)16-13/h4-9H,10-11H2,1-3H3
InChI Key:
MLAVBDKETWNHEH-UHFFFAOYSA-N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.324g/mol
Monoisotopic Mass:
213.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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