Basic information
- CAS
671767-88-7- Standard SMILES
Cn1c(=O)[nH]c(=O)c2[nH]c(N3CCN(CCO)CC3)nc21- InChIKey
URCSBFWIIIDCLW-UHFFFAOYSA-N- Molecular formula
- C12H18N6O3
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.14403846
Names & identifiers
- Preferred name
- 8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7H-purine-2,6-dione
Names & synonyms
671767-88-78-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione8-(4-(2-hydroxyethyl)piperazin-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dioneBAS 059689378-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7H-purine-2,6-dioneCCG-22372STL148788AKOS000723311AKOS005748374NCGC00283273-01ST50022817AB00674014-01
Show more names
AB00674014-02F1342-0087Z2390912446-hydroxy-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,9-dihydro-2H-purin-2-one8-[4-(2-hydroxyethyl)piperazinyl]-3-methyl-1,3,7-trihydropurine-2,6-dione
Database identifiers
- CAS
671767-88-7- PubChem CID
- 950535
- EC Number
- 134-072-0
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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