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139110-14-8 | Pyrimidine, 5-decyl-2-(4-decylphenyl)-
CAS No: 139110-14-8 Catalog No: AG001ABH MDL No:
Product Description
Catalog Number:
AG001ABH
Chemical Name:
Pyrimidine, 5-decyl-2-(4-decylphenyl)-
CAS Number:
139110-14-8
Molecular Formula:
C30H48N2
Molecular Weight:
436.7155
IUPAC Name:
5-decyl-2-(4-decylphenyl)pyrimidine
InChI:
InChI=1S/C30H48N2/c1-3-5-7-9-11-13-15-17-19-27-21-23-29(24-22-27)30-31-25-28(26-32-30)20-18-16-14-12-10-8-6-4-2/h21-26H,3-20H2,1-2H3
InChI Key:
PNFAPBWVNYAEMU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(cc1)c1ncc(cn1)CCCCCCCCCC
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.382g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.728g/mol
Monoisotopic Mass:
436.382g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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