7-Butyl-8-((2-hydroxyethyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
476480-72-5- Standard SMILES
CCCCn1c(NCCO)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
YRYOKTGNLVDNMH-UHFFFAOYSA-N- Molecular formula
- C12H19N5O3
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.14878949
Names & identifiers
- Preferred name
- 7-Butyl-8-((2-hydroxyethyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 7-butyl-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione
Names & synonyms
476480-72-5RefChem:5459717-Butyl-8-((2-hydroxyethyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione631-842-27-butyl-6-hydroxy-8-[(2-hydroxyethyl)amino]-3-methyl-3,7-dihydro-2H-purin-2-one7-butyl-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dioneSTL039751AKOS005693849AKOS0244077547-butyl-8-((2-hydroxyethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
Database identifiers
- CAS
476480-72-5- PubChem CID
- 3321164
- EC Number
- 631-842-2
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
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]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
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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