Cafaminol
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Cafaminol
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CAS No:
30924-31-3
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Formula:
C11H17N5O3
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Chemical Name:
Cafaminol
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Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-8-[(2-hydroxyethyl)methylamino]-1,3,7-trimethyl-;Caffeine,8-[(2-hydroxyethyl)methylamino]-;3,7-Dihydro-8-[(2-hydroxyethyl)methylamino]-1,3,7-trimethyl-1H-purine-2,6-dione;8-[N-Methyl-N-(β-hydroxyethyl)amino]caffeine;Cafaminol;8-(β-Oxyethyl)methylaminocaffeine;Methylcoffanolamin;Methylcoffanolamine;Rhinoptil
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CAS No:
Characteristics
81.9
-0.7
1.41g/cm3
105 °C
476.6ºC at 760 mmHg
242.1ºC
1.648
0.22 M
LD50 s.c. in male mice: 700 mg/kg (Klosa)
Computed Properties
Molecular Weight:267.28
XLogP3:-0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:267.13313942
Monoisotopic Mass:267.13313942
Topological Polar Surface Area:81.9
Heavy Atom Count:19
Complexity:391
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes