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78030-59-8 | 7H-Purinium, 7,9-dimethyl-6-[(phenylmethoxy)amino]-, iodide
CAS No: 78030-59-8 Catalog No: AG0055FV MDL No:
Product Description
Catalog Number:
AG0055FV
Chemical Name:
7H-Purinium, 7,9-dimethyl-6-[(phenylmethoxy)amino]-, iodide
CAS Number:
78030-59-8
Molecular Formula:
C14H18IN5O
Molecular Weight:
399.2301
IUPAC Name:
7,9-dimethyl-N-phenylmethoxy-8H-purin-3-ium-6-amine;iodide
InChI:
InChI=1S/C14H17N5O.HI/c1-18-10-19(2)14-12(18)13(15-9-16-14)17-20-8-11-6-4-3-5-7-11;/h3-7,9H,8,10H2,1-2H3,(H,15,16,17);1H
InChI Key:
KSTPDWNMZQZTIT-UHFFFAOYSA-N
SMILES:
CN1CN(c2c1c(NOCc1ccccc1)[nH+]cn2)C.[I-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.236g/mol
Monoisotopic Mass:
399.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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