8-(diethylaminomethyl)-3,7-dimethylpurine-2,6-dione,hydrochloride
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8-(diethylaminomethyl)-3,7-dimethylpurine-2,6-dione,hydrochloride
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CAS No:
15996-31-3
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Formula:
C12H20ClN5O2
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Chemical Name:
8-(diethylaminomethyl)-3,7-dimethylpurine-2,6-dione,hydrochloride
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Synonyms:
8-[(diethylamino)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride (1:1); 8-Diethylaminomethyl-3,7-dimethylxanthine,hydrochloride; Theobromine,8-diethylaminomethyl-,hydrochloride; 8-(diethylaminomethyl)-3,7-dimethylpurine-2,6-dione hydrochloride; 8-Diethylaminomethyltheobromine;
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CAS No:
8-(diethylaminomethyl)-3,7-dimethylpurine-2,6-dione,hydrochloride Basic Attributes
301.77300
301.1305526 g/mol
DTXSID60166777
Computed Properties
Molecular Weight:301.77
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:301.1305526
Monoisotopic Mass:301.1305526
Topological Polar Surface Area:70.5
Heavy Atom Count:20
Complexity:371
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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