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162714-86-5 | 9H-Purin-6-amine, N-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 162714-86-5 Catalog No: AG001TCP MDL No:
Product Description
Catalog Number:
AG001TCP
Chemical Name:
9H-Purin-6-amine, N-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
162714-86-5
Molecular Formula:
C12H12ClN5
Molecular Weight:
261.7102
IUPAC Name:
N-benzyl-7H-purin-6-amine;hydrochloride
InChI:
InChI=1S/C12H11N5.ClH/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;/h1-5,7-8H,6H2,(H2,13,14,15,16,17);1H
InChI Key:
VQVCNMLGIVVDOS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CNc1ncnc2c1nc[nH]2.Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.713g/mol
Monoisotopic Mass:
261.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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