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89018-80-4 | 1H-Purinium, 6-(methoxyamino)-1,3-dimethyl-, iodide
CAS No: 89018-80-4 Catalog No: AG0044DF MDL No:
Product Description
Catalog Number:
AG0044DF
Chemical Name:
1H-Purinium, 6-(methoxyamino)-1,3-dimethyl-, iodide
CAS Number:
89018-80-4
Molecular Formula:
C8H14IN5O
Molecular Weight:
323.1341
IUPAC Name:
N-methoxy-1,3-dimethyl-2,7-dihydro-1H-purin-1-ium-6-imine;iodide
InChI:
InChI=1S/C8H13N5O.HI/c1-12-5-13(2)8(11-14-3)6-7(12)10-4-9-6;/h4H,5H2,1-3H3,(H,9,10);1H
InChI Key:
BIQWLWZCJJEREN-UHFFFAOYSA-N
SMILES:
CONC1=C2N=CN=C2N(C[NH+]1C)C.[I-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.138g/mol
Monoisotopic Mass:
323.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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