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Home > Pyridines > 128669-12-5
128669-12-5 | 3-Pyridinol, 4-[(hexylimino)methyl]-2,5-dimethyl-
CAS No: 128669-12-5 Catalog No: AG000YAK MDL No:
Product Description
Catalog Number:
AG000YAK
Chemical Name:
3-Pyridinol, 4-[(hexylimino)methyl]-2,5-dimethyl-
CAS Number:
128669-12-5
Molecular Formula:
C14H22N2O
Molecular Weight:
234.3373
IUPAC Name:
4-(hexyliminomethyl)-2,5-dimethylpyridin-3-ol
InChI:
InChI=1S/C14H22N2O/c1-4-5-6-7-8-15-10-13-11(2)9-16-12(3)14(13)17/h9-10,17H,4-8H2,1-3H3
InChI Key:
NEVAWUIZGNPLSZ-UHFFFAOYSA-N
SMILES:
CCCCCCN=Cc1c(C)cnc(c1O)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.343g/mol
Monoisotopic Mass:
234.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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