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1454-52-0 | 9H-Purin-6-amine, 8-methyl-N-(phenylmethyl)-
CAS No: 1454-52-0 Catalog No: AG001KVG MDL No:
Product Description
Catalog Number:
AG001KVG
Chemical Name:
9H-Purin-6-amine, 8-methyl-N-(phenylmethyl)-
CAS Number:
1454-52-0
Molecular Formula:
C13H13N5
Molecular Weight:
239.2758
IUPAC Name:
N-benzyl-8-methyl-7H-purin-6-amine
InChI:
InChI=1S/C13H13N5/c1-9-17-11-12(15-8-16-13(11)18-9)14-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,14,15,16,17,18)
InChI Key:
RDYAQFHXLOOQKE-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(n1)c(ncn2)NCc1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.282g/mol
Monoisotopic Mass:
239.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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