Basic information
- CAS
332904-73-1- Standard SMILES
Cc1ccc(Cn2c(N(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1- InChIKey
ARERDSUBROSDFB-UHFFFAOYSA-N- Molecular formula
- C17H21N5O2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.16952493
Names & identifiers
- Preferred name
- 8-(Dimethylamino)-1,3-dimethyl-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-(dimethylamino)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Names & synonyms
332904-73-1RefChem:5474838-(Dimethylamino)-1,3-dimethyl-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione651-090-98-(Dimethylamino)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione8-(dimethylamino)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dioneOprea1_480773Oprea1_607756AKOS000580593ST502536758-(dimethylamino)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione8-(dimethylamino)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-1,3,7-trihydropurine -2,6-dione
Database identifiers
- CAS
332904-73-1- PubChem CID
- 839570
- EC Number
- 651-090-9
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 503
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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