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89204-72-8 | 7H-Purinium, 7,9-dimethyl-6-[(phenylmethoxy)amino]-, perchlorate
CAS No: 89204-72-8 Catalog No: AG0045NP MDL No:
Product Description
Catalog Number:
AG0045NP
Chemical Name:
7H-Purinium, 7,9-dimethyl-6-[(phenylmethoxy)amino]-, perchlorate
CAS Number:
89204-72-8
Molecular Formula:
C14H18ClN5O5
Molecular Weight:
371.7762
IUPAC Name:
7,9-dimethyl-N-phenylmethoxy-8H-purin-3-ium-6-amine;perchlorate
InChI:
InChI=1S/C14H17N5O.ClHO4/c1-18-10-19(2)14-12(18)13(15-9-16-14)17-20-8-11-6-4-3-5-7-11;2-1(3,4)5/h3-7,9H,8,10H2,1-2H3,(H,15,16,17);(H,2,3,4,5)
InChI Key:
QRHUDJQEZDINPG-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CN1CN(c2c1c(NOCc1ccccc1)[nH+]cn2)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.1g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.778g/mol
Monoisotopic Mass:
371.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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