Basic information
- CAS
476481-49-9- Standard SMILES
Cn1c(=O)[nH]c(=O)c2c1nc(N(CCO)CCO)n2CCOc1ccccc1- InChIKey
OUMUXBTWZQODMN-UHFFFAOYSA-N- Molecular formula
- C18H23N5O5
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.16991885
Names & identifiers
- Preferred name
- 8-(Bis(2-HO-ethyl)amino)-3-ME-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
Names & synonyms
476481-49-98-(BIS(2-HO-ETHYL)AMINO)-3-ME-7-(2-PHENOXYETHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONERefChem:547448631-895-18-(bis(2-hydroxyethyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dioneSTL0509788-[bis(2-hydroxyethyl)amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dioneAKOS005704124AKOS024407866SR-01000111519SR-01000111519-1
Show more names
F1352-01528-[bis(2-hydroxyethyl)amino]-6-hydroxy-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-2H-purin-2-one
Database identifiers
- CAS
476481-49-9- PubChem CID
- 3922154
- EC Number
- 631-895-1
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 538
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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