Basic information
- CAS
476482-37-8- Standard SMILES
Cn1c(=O)[nH]c(=O)c2[nH]c(N3CCN(c4ccccc4)CC3)nc21- InChIKey
LQBFCIIZJATTIV-UHFFFAOYSA-N- Molecular formula
- C16H18N6O2
- Average molar mass
- 326.35 g/mol
- Monoisotopic mass
- 326.14912384
Names & identifiers
- Preferred name
- 3-Methyl-8-(4-phenyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 3-methyl-8-(4-phenylpiperazin-1-yl)-7H-purine-2,6-dione
- English name
- SALOR-INT L217972-1EA
- Molecular formula
- C16H18N6O2
- Molecular weight
- 326.35
Names & synonyms
476482-37-8RefChem:5040683-Methyl-8-(4-phenyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione648-546-43-methyl-8-(4-phenylpiperazin-1-yl)-7H-purine-2,6-dione3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione3-Methyl-8-(4-phenylpiperazin-1-yl)-3,9-dihydro-1h-purine-2,6-dione3-methyl-8-(4-phenylpiperazinyl)-1,3,7-trihydropurine-2,6-dioneBAS 05968917SBB085022STK560929AKOS001294515
Show more names
SALOR-INT L217972-1EA3-methyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,9-dihydro-3-methyl-8-(4-phenyl-1-piperazinyl)-
AKOS005486269UPCMLD0ENAT5732028:001NCGC00280872-01CS-0300836ST50022813AB01136434-02F1342-0067Z223825820
Database identifiers
- CAS
476482-37-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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