8-butyl-1,3-dimethyl-7H-purine-2,6-dione,hydrochloride
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8-butyl-1,3-dimethyl-7H-purine-2,6-dione,hydrochloride
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CAS No:
74039-65-9
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Formula:
C11H17ClN4O2
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Chemical Name:
8-butyl-1,3-dimethyl-7H-purine-2,6-dione,hydrochloride
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Synonyms:
Theophylline,8-butyl-,hydrochloride; 8-Butyltheophylline hydrochloride; 8-butyl-1,3-dimethyl-7H-purine-2,6-dione hydrochloride;
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CAS No:
8-butyl-1,3-dimethyl-7H-purine-2,6-dione,hydrochloride Basic Attributes
272.73100
272.1040035
DTXSID90224935
Computed Properties
Molecular Weight:272.73
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:272.1040035
Monoisotopic Mass:272.1040035
Topological Polar Surface Area:69.3
Heavy Atom Count:18
Complexity:333
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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