Fencamine
Basic information
- CAS
28947-50-4- Standard SMILES
CC(Cc1ccccc1)N(C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C- InChIKey
PDTADBTVZXKSJM-UHFFFAOYSA-N- Molecular formula
- C20H28N6O2
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.22737416
Overview
psychotonic, defatigant deriv of caffeine & ethylenediamine; structure
Names & identifiers
- Preferred name
- Fencamine
- IUPAC
- 1,3,7-trimethyl-8-[2-[methyl(1-phenylpropan-2-yl)amino]ethylamino]purine-2,6-dione
- English name
- fencamine
- Molecular formula
- C20H28N6O2
- Molecular weight
- 384.48
Names & synonyms
FencaminePhencamine28947-50-4ST-3743AO7AC8C6K1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-((2-(methyl(1-methyl-2-phenylethyl)amino)ethyl)amino)-3,7-Dihydro-1,3,7-trimethyl-8-((2-(methyl(1-methyl-2-phenylethyl)amino)ethyl)amino)-1H-purine-2,6-dioneDTXSID10276158RefChem:140112DTXCID30227501111-757-28-(2-(N-methyl-beta-phenyl-alpha-methylethylamine)ethylamine)-1,3,7-trimethyl-2,6-dioxopurine
Show more names
AltiMineAltiMinadl-FencaMinePhencaMine-d3dl-FencaMine-d38-[[2-[Methyl(α-Methylphenethyl)aMino]ethyl] aMino]caffeineN-8-Caffeyl-N'-Methyl-N'-(α-Methylphenethyl) ethylenediaMine8-[[2-[Methyl-d3(α-Methylphenethyl)aMino]ethyl]aMino] caffeine
Fencamine [MI]Fencamine, (+/-)-UNII-3AO7AC8C6K1,3,7-trimethyl-8-[2-[methyl(1-phenylpropan-2-yl)amino]ethylamino]purine-2,6-dioneSCHEMBL49426C20H28N6O2FF23246DB-225900
Database identifiers
- CAS
28947-50-4- PubChem CID
- 115374
- DTXSID
DTXSID10276158- UNII
- 3AO7AC8C6K
- EC Number
- 111-757-2
- Nikkaji
- J20.330K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 567
Physicochemical properties
- Melting point
- 150 · 150-152°
- Boiling point
- 564 · 564.0±60.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.1 · 9.10±0.50(Predicted)
- color
- White to Off-White
- FDA UNII
- 3 AO7AC8C6K · 3AO7AC8C6K
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
UsesAnaleptic.
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Related reactions
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Compound notes
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