200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 155400-76-3
155400-76-3 | 1,10-Phenanthroline, 2,2'-(1,6-hexanediyl)bis[9-butyl-
CAS No: 155400-76-3 Catalog No: AG001NVN MDL No:
Product Description
Catalog Number:
AG001NVN
Chemical Name:
1,10-Phenanthroline, 2,2'-(1,6-hexanediyl)bis[9-butyl-
CAS Number:
155400-76-3
Molecular Formula:
C38H42N4
Molecular Weight:
554.7669
IUPAC Name:
2-butyl-9-[6-(9-butyl-1,10-phenanthrolin-2-yl)hexyl]-1,10-phenanthroline
InChI:
InChI=1S/C38H42N4/c1-3-5-11-31-23-19-27-15-17-29-21-25-33(41-37(29)35(27)39-31)13-9-7-8-10-14-34-26-22-30-18-16-28-20-24-32(12-6-4-2)40-36(28)38(30)42-34/h15-26H,3-14H2,1-2H3
InChI Key:
VRXVXSFBVHTIOI-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(n1)c1nc(CCCCCCc3ccc4c(n3)c3nc(CCCC)ccc3cc4)ccc1cc2
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.341g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.782g/mol
Monoisotopic Mass:
554.341g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.