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54518-13-7 | 2-(1-Propylbutyl)pyridine
CAS No: 54518-13-7 Catalog No: AG00E4CX MDL No:
Product Description
Catalog Number:
AG00E4CX
Chemical Name:
2-(1-Propylbutyl)pyridine
CAS Number:
54518-13-7
IUPAC Name:
2-heptan-4-ylpyridine
InChI:
InChI=1S/C12H19N/c1-3-7-11(8-4-2)12-9-5-6-10-13-12/h5-6,9-11H,3-4,7-8H2,1-2H3
InChI Key:
ZQEAUDWGKFSWMA-UHFFFAOYSA-N
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.291g/mol
Monoisotopic Mass:
177.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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