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10184-20-0 | 9H-Purin-6-amine, N-(diphenylmethyl)-, hydrochloride (1:1)
CAS No: 10184-20-0 Catalog No: AG0005P6 MDL No:
Product Description
Catalog Number:
AG0005P6
Chemical Name:
9H-Purin-6-amine, N-(diphenylmethyl)-, hydrochloride (1:1)
CAS Number:
10184-20-0
Molecular Formula:
C18H16ClN5
Molecular Weight:
337.8061
IUPAC Name:
N-benzhydryl-3,5-dihydropurin-6-imine
InChI:
InChI=1S/C18H15N5/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)23-18-16-17(20-11-19-16)21-12-22-18/h1-12,15-16H,(H,19,20,21,22,23)
InChI Key:
KUUVRJMBKIWKSE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(c1ccccc1)Nc1ncnc2c1nc[nH]2.Cl
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.133g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.353g/mol
Monoisotopic Mass:
301.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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