200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114415-26-8
114415-26-8 | Pyrimidine, 5-dodecyl-2-[4-(octyloxy)phenyl]-
CAS No: 114415-26-8 Catalog No: AG000BAL MDL No:
Product Description
Catalog Number:
AG000BAL
Chemical Name:
Pyrimidine, 5-dodecyl-2-[4-(octyloxy)phenyl]-
CAS Number:
114415-26-8
Molecular Formula:
C30H48N2O
Molecular Weight:
452.7149
IUPAC Name:
5-dodecyl-2-(4-octoxyphenyl)pyrimidine
InChI:
InChI=1S/C30H48N2O/c1-3-5-7-9-11-12-13-14-15-17-19-27-25-31-30(32-26-27)28-20-22-29(23-21-28)33-24-18-16-10-8-6-4-2/h20-23,25-26H,3-19,24H2,1-2H3
InChI Key:
DIESLOGOXULNIV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1cnc(nc1)c1ccc(cc1)OCCCCCCCC
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.377g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.727g/mol
Monoisotopic Mass:
452.377g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.