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122365-34-8 | 9H-Purin-6-amine, 9-(diphenylmethyl)-
CAS No: 122365-34-8 Catalog No: AG001764 MDL No:
Product Description
Catalog Number:
AG001764
Chemical Name:
9H-Purin-6-amine, 9-(diphenylmethyl)-
CAS Number:
122365-34-8
Molecular Formula:
C18H15N5
Molecular Weight:
301.3452
IUPAC Name:
9-benzhydrylpurin-6-amine
InChI:
InChI=1S/C18H15N5/c19-17-15-18(21-11-20-17)23(12-22-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H,(H2,19,20,21)
InChI Key:
JXSMDTQDKIEIHN-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1
Properties
Complexity:
360
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:
4
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:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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