3-Methyl-8-(methylamino)-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
332099-06-6- Standard SMILES
C=C(C)Cn1c(NC)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
LWNJHYOPONACQL-UHFFFAOYSA-N- Molecular formula
- C11H15N5O2
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.12257474
Names & identifiers
- Preferred name
- 3-Methyl-8-(methylamino)-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 3-methyl-8-(methylamino)-7-(2-methylprop-2-enyl)purine-2,6-dione
Names & synonyms
332099-06-63-methyl-8-(methylamino)-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dioneRefChem:504070651-088-83-methyl-7-(2-methylallyl)-8-(methylamino)-1H-purine-2,6(3H,7H)-dioneOprea1_502324Oprea1_815416STL512794AKOS000721894ST50007073AG-690/13701202SR-01000361079
Show more names
SR-01000361079-13-methyl-8-(methylamino)-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione3-methyl-8-(methylamino)-7-(2-methylprop-2-enyl)-1,3,7-trihydropurine-2,6-dion e
Database identifiers
- CAS
332099-06-6- PubChem CID
- 776808
- EC Number
- 651-088-8
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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