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Home > Pyridines > 100907-40-2
100907-40-2 | Pyridine, 2-(4-butylphenyl)-5-pentyl-
CAS No: 100907-40-2 Catalog No: AG00036C MDL No:
Product Description
Catalog Number:
AG00036C
Chemical Name:
Pyridine, 2-(4-butylphenyl)-5-pentyl-
CAS Number:
100907-40-2
Molecular Formula:
C20H27N
Molecular Weight:
281.4351
IUPAC Name:
2-(4-butylphenyl)-5-pentylpyridine
InChI:
InChI=1S/C20H27N/c1-3-5-7-9-18-12-15-20(21-16-18)19-13-10-17(11-14-19)8-6-4-2/h10-16H,3-9H2,1-2H3
InChI Key:
GMXDTWBOVCTUGF-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(nc1)c1ccc(cc1)CCCC
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.214g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.443g/mol
Monoisotopic Mass:
281.214g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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