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159872-81-8 | 1-Piperazineethanol, α-[[4-(2,4,7-triamino-6-pteridinyl)phenoxy]methyl]-
CAS No: 159872-81-8 Catalog No: AG001RGR MDL No:
Product Description
Catalog Number:
AG001RGR
Chemical Name:
1-Piperazineethanol, α-[[4-(2,4,7-triamino-6-pteridinyl)phenoxy]methyl]-
CAS Number:
159872-81-8
Molecular Formula:
C19H25N9O2
Molecular Weight:
411.4609
IUPAC Name:
1-piperazin-1-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol
InChI:
InChI=1S/C19H25N9O2/c20-16-14(24-15-17(21)26-19(22)27-18(15)25-16)11-1-3-13(4-2-11)30-10-12(29)9-28-7-5-23-6-8-28/h1-4,12,23,29H,5-10H2,(H6,20,21,22,25,26,27)
InChI Key:
QKQXJSAEOANDJB-UHFFFAOYSA-N
SMILES:
OC(CN1CCNCC1)COc1ccc(cc1)c1nc2c(N)nc(nc2nc1N)N
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.213g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
411.47g/mol
Monoisotopic Mass:
411.213g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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