1H-Purine-2,6-dione, 1-(3-chloropropyl)-3,7-dihydro-3,7-dimethyl-


Chemical Name: 1H-Purine-2,6-dione, 1-(3-chloropropyl)-3,7-dihydro-3,7-dimethyl-
CAS Number: 74409-52-2
Product Number: AG003CWV(AGN-PC-00KHXI)
Synonyms:
MDL No:
Molecular Formula: C10H13ClN4O2
Molecular Weight: 256.6888

Identification/Properties


Properties
MP:
145°C
BP:
478.2±51.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
256.69g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
256.073g/mol
Monoisotopic Mass:
256.073g/mol
Topological Polar Surface Area:
58.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
338
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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