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13094-49-0 | 2,4,6-Pyrimidinetriamine, 5-[3-(4-aminophenoxy)propyl]-
CAS No: 13094-49-0 Catalog No: AG000V57 MDL No:
Product Description
Catalog Number:
AG000V57
Chemical Name:
2,4,6-Pyrimidinetriamine, 5-[3-(4-aminophenoxy)propyl]-
CAS Number:
13094-49-0
Molecular Formula:
C13H18N6O
Molecular Weight:
274.3216
IUPAC Name:
5-[3-(4-aminophenoxy)propyl]pyrimidine-2,4,6-triamine
InChI:
InChI=1S/C13H18N6O/c14-8-3-5-9(6-4-8)20-7-1-2-10-11(15)18-13(17)19-12(10)16/h3-6H,1-2,7,14H2,(H6,15,16,17,18,19)
InChI Key:
MCMZSMFKUGARGW-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)OCCCc1c(N)nc(nc1N)N
NSC Number:
93030
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.328g/mol
Monoisotopic Mass:
274.154g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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