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1456-46-8 | 9H-Purin-2-amine, N-(phenylmethyl)-
CAS No: 1456-46-8 Catalog No: AG001D7U MDL No:
Product Description
Catalog Number:
AG001D7U
Chemical Name:
9H-Purin-2-amine, N-(phenylmethyl)-
CAS Number:
1456-46-8
Molecular Formula:
C12H11N5
Molecular Weight:
225.2492
IUPAC Name:
N-benzyl-7H-purin-2-amine
InChI:
InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-12-14-7-10-11(17-12)16-8-15-10/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
InChI Key:
WYXYBEOWQBGFQB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CNc1ncc2c(n1)[nH]cn2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.255g/mol
Monoisotopic Mass:
225.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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