n-Heptanoic acid 4-(5-n-octylpyrimidin-2-yl)phenyl ester

Catalog Number	ACM58415911
CAS Number	58415-91-1
Synonyms	Heptanoic acid, 4-(5-octyl-2-pyrimidinyl)phenyl ester
IUPAC Name	[4-(5-octylpyrimidin-2-yl)phenyl] heptanoate
Molecular Weight	396.57
Molecular Formula	C25H36N2O2
Canonical SMILES	CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCC
InChI	InChI=1S/C25H36N2O2/c1-3-5-7-9-10-11-13-21-19-26-25(27-20-21)22-15-17-23(18-16-22)29-24(28)14-12-8-6-4-2/h15-20H,3-14H2,1-2H3
InChI Key	PYMMEHPLFYFSIW-UHFFFAOYSA-N
Boiling Point	462.8±37.0 ºC
Purity	99.5%+
Density	1.008±0.06 g/ml