8-((dimethylamino)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Basic information
- CAS
117099-45-3- Standard SMILES
CN(C)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C- InChIKey
PNBKDXJNLKRCBL-UHFFFAOYSA-N- Molecular formula
- C10H15N5O2
- Average molar mass
- 237.26 g/mol
- Monoisotopic mass
- 237.12257474
Names & identifiers
- Preferred name
- 8-((dimethylamino)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
117099-45-38-((dimethylamino)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dioneMLS000103416BAS 07401413CHEMBL13699438-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dioneHMS2248B14STL5194668-((dimethylamino)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dioneAKOS000722001AKOS0374925501.3-Dimethyl-8-dimethylaminomethylxanthin
Show more names
SMR000015678ST50296839AB00435321-04F1468-0011Z2389175268-[(dimethylamino)methyl]-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione8-[(dimethylamino)methyl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
117099-45-3- PubChem CID
- 853496
- ChEMBL
CHEMBL1369943- EC Number
- 120-384-4
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
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%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…