1,3-dimethyl-7-(2-methylallyl)-8-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione
Basic information
- CAS
573931-49-4- Standard SMILES
C=C(C)Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C- InChIKey
TWULISJUMHUJHO-UHFFFAOYSA-N- Molecular formula
- C16H23N5O3
- Average molar mass
- 333.39 g/mol
- Monoisotopic mass
- 333.18008961
Names & identifiers
- Preferred name
- 1,3-dimethyl-7-(2-methylallyl)-8-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(morpholin-4-ylmethyl)purine-2,6-dione
- English name
- 1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
- Molecular formula
- C16H23N5O3
- Molecular weight
- 333.39
Names & synonyms
1,3-dimethyl-7-(2-methylallyl)-8-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione573931-49-41,3-dimethyl-7-(2-methylprop-2-enyl)-8-(morpholin-4-ylmethyl)purine-2,6-dioneF1717-0001STL006946AKOS001361562CCG-122381UPCMLD0ENAT5783486:001ST50296841Z2354497341,3-DIMETHYL-7-(2-METHYL-2-PROPENYL)-8-(4-MORPHOLINYLMETHYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Show more names
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-methyl-2-propen-1-yl)-8-(4-morpholinylmethyl)-
1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-[(morpholin-4-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(morpholin-4-ylmethyl)-1,3,7-trihydropu rine-2,6-dione
Database identifiers
- CAS
573931-49-4- PubChem CID
- 853499
- EC Number
- 114-436-5
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 534
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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