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89018-84-8 | 1H-Purinium, 6-(methoxyamino)-1,3-dimethyl-, perchlorate
CAS No: 89018-84-8 Catalog No: AG00436L MDL No:
Product Description
Catalog Number:
AG00436L
Chemical Name:
1H-Purinium, 6-(methoxyamino)-1,3-dimethyl-, perchlorate
CAS Number:
89018-84-8
Molecular Formula:
C8H14ClN5O5
Molecular Weight:
295.6803
IUPAC Name:
N-methoxy-1,3-dimethyl-2,7-dihydro-1H-purin-1-ium-6-imine;perchlorate
InChI:
InChI=1S/C8H13N5O.ClHO4/c1-12-5-13(2)8(11-14-3)6-7(12)10-4-9-6;2-1(3,4)5/h4H,5H2,1-3H3,(H,9,10);(H,2,3,4,5)
InChI Key:
XEHXHVDLGPOZCX-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CONC1=C2N=CN=C2N(C[NH+]1C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.68g/mol
Monoisotopic Mass:
295.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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