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147951-59-5 | 9H-Purin-6-amine, 9-methyl-2-(2-phenylethoxy)-
CAS No: 147951-59-5 Catalog No: AG001FB9 MDL No:
Product Description
Catalog Number:
AG001FB9
Chemical Name:
9H-Purin-6-amine, 9-methyl-2-(2-phenylethoxy)-
CAS Number:
147951-59-5
Molecular Formula:
C14H15N5O
Molecular Weight:
269.3018
IUPAC Name:
9-methyl-2-(2-phenylethoxy)purin-6-amine
InChI:
InChI=1S/C14H15N5O/c1-19-9-16-11-12(15)17-14(18-13(11)19)20-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,15,17,18)
InChI Key:
WUYCPZWPSQAJNA-UHFFFAOYSA-N
SMILES:
Cn1cnc2c1nc(OCCc1ccccc1)nc2N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.308g/mol
Monoisotopic Mass:
269.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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