Basic information
- CAS
14340-40-0- Standard SMILES
Cn1c(=O)c2c(ncn2CN2CCN(CCO)CC2)n(C)c1=O- InChIKey
WNRJIVKMPVWTBN-UHFFFAOYSA-N- Molecular formula
- C14H22N6O3
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.17533859
Names & identifiers
- Preferred name
- 7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Names & synonyms
7-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione14340-40-0STL3405547-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dioneAKOS005185306ST51072380VU0607615-1F3259-04987-{[4-(2-hydroxyethyl)piperazinyl]methyl}-1,3-dimethyl-1,3,7-trihydropurine-2, 6-dione7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
14340-40-0- PubChem CID
- 853501
- EC Number
- 114-438-6
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
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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