1-(3-CHLOROPROPYL)THEOBROMINE
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1-(3-CHLOROPROPYL)THEOBROMINE
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CAS No:
74409-52-2
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Formula:
C10H13ClN4O2
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Chemical Name:
1-(3-CHLOROPROPYL)THEOBROMINE
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Synonyms:
1-(3-CHLOROPROPYL)-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE;1-(3-CHLOROPROPYL)-3,7-DIMETHYLXANTHINE;1-(3-CHLOROPROPYL)THEOBROMINE;Chloropropyltheobromine;1-(3-Chloropropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione1-(3-Chloropropyl)-3,7-dimethylxanthine;1-(3-Chloropropyl)-3,7-diMethyl-1H-purine-2,6(3H,7H)-dione;1-(3-Chloro-propyl)-3,7-diMethyl-3,7-dihydro-purine-2,6-dione;1H-Purine-2,6-dione,1-(3-chloropropyl)-3,7-dihydro-3,7-diMethyl-
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CAS No:
Safety Information
22-24/25
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:256.69
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:256.0727034
Monoisotopic Mass:256.0727034
Topological Polar Surface Area:58.4
Heavy Atom Count:17
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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