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Home > Pyridines > 866917-75-1
866917-75-1 | Pyridine, 1-hexyl-1,4-dihydro-3-methyl-
CAS No: 866917-75-1 Catalog No: AG004KLA MDL No:
Product Description
Catalog Number:
AG004KLA
Chemical Name:
Pyridine, 1-hexyl-1,4-dihydro-3-methyl-
CAS Number:
866917-75-1
Molecular Formula:
C12H21N
Molecular Weight:
179.3018
IUPAC Name:
1-hexyl-3-methyl-4H-pyridine
InChI:
InChI=1S/C12H21N/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h7,10-11H,3-6,8-9H2,1-2H3
InChI Key:
MSCVCBMUPGTQKJ-UHFFFAOYSA-N
SMILES:
CCCCCCN1C=CCC(=C1)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.307g/mol
Monoisotopic Mass:
179.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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