Basic information
- CAS
106939-22-4- Standard SMILES
CCCCCCCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
KQQZBXVSHIUACI-UHFFFAOYSA-N- Molecular formula
- C20H33N5O2
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.26342531
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-7-nonyl-8-(1-piperidinyl)-
- IUPAC
- 3-methyl-7-nonyl-8-piperidin-1-ylpurine-2,6-dione
Names & synonyms
106939-22-41H-Purine-2,6-dione, 3,7-dihydro-3-methyl-7-nonyl-8-(1-piperidinyl)-DTXSID101478343-Methyl-7-nonyl-8-(1-piperidinyl)-7H-purine-2,6(1H,3H)-dioneRefChem:239595DTXCID90703253-methyl-7-nonyl-8-piperidin-1-ylpurine-2,6-dione3-Methyl-7-nonyl-8-piperidin-1-yl-3,7-dihydro-purine-2,6-dioneSTL043684AKOS000718176AKOS005696834ST50226168
Show more names
AG-690/110840493-methyl-7-nonyl-8-piperidyl-1,3,7-trihydropurine-2,6-dione3-methyl-7-nonyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione3-methyl-7-nonyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione3-methyl-7-nonyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione6-hydroxy-3-methyl-7-nonyl-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Database identifiers
- CAS
106939-22-4- PubChem CID
- 3065136
- DTXSID
DTXSID10147834- EC Number
- 151-013-4
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
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, P273, 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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