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850406-94-9 | Pentanoic acid, 5-[bis(2-quinolinylmethyl)amino]-
CAS No: 850406-94-9 Catalog No: AG004SV1 MDL No:
Product Description
Catalog Number:
AG004SV1
Chemical Name:
Pentanoic acid, 5-[bis(2-quinolinylmethyl)amino]-
CAS Number:
850406-94-9
Molecular Formula:
C25H25N3O2
Molecular Weight:
399.4849
IUPAC Name:
5-[bis(quinolin-2-ylmethyl)amino]pentanoic acid
InChI:
InChI=1S/C25H25N3O2/c29-25(30)11-5-6-16-28(17-21-14-12-19-7-1-3-9-23(19)26-21)18-22-15-13-20-8-2-4-10-24(20)27-22/h1-4,7-10,12-15H,5-6,11,16-18H2,(H,29,30)
InChI Key:
LSTBJKAXRZTQSK-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCN(Cc1ccc2c(n1)cccc2)Cc1ccc2c(n1)cccc2
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.195g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.494g/mol
Monoisotopic Mass:
399.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Rhenium tricarbonyl core complexes of thymidine and uridine derivatives. | Inorganic chemistry 20050404 |
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