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88945-29-3 | Pyrimidine, 2-[2-(4-ethoxyphenyl)ethyl]-5-pentyl-
CAS No: 88945-29-3 Catalog No: AG0048AM MDL No:
Product Description
Catalog Number:
AG0048AM
Chemical Name:
Pyrimidine, 2-[2-(4-ethoxyphenyl)ethyl]-5-pentyl-
CAS Number:
88945-29-3
Molecular Formula:
C19H26N2O
Molecular Weight:
298.4225
IUPAC Name:
2-[2-(4-ethoxyphenyl)ethyl]-5-pentylpyrimidine
InChI:
InChI=1S/C19H26N2O/c1-3-5-6-7-17-14-20-19(21-15-17)13-10-16-8-11-18(12-9-16)22-4-2/h8-9,11-12,14-15H,3-7,10,13H2,1-2H3
InChI Key:
XYXOXPWUIULDLD-UHFFFAOYSA-N
SMILES:
CCCCCc1cnc(nc1)CCc1ccc(cc1)OCC
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.205g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.43g/mol
Monoisotopic Mass:
298.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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