Basic information
- CAS
332904-92-4- Standard SMILES
CC(C)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
IXWRBHQHRXSGOS-UHFFFAOYSA-N- Molecular formula
- C18H23N5O2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.18517499
Names & identifiers
- Preferred name
- 8-(Benzyl(methyl)amino)-7-isobutyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-[benzyl(methyl)amino]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
- English name
- 8-[benzyl(methyl)amino]-7-isobutyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- Molecular formula
- C18H23N5O2
- Molecular weight
- 341.41
Names & synonyms
332904-92-48-[benzyl(methyl)amino]-7-isobutyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione8-(Benzyl(methyl)amino)-7-isobutyl-3-methyl-3,7-dihydro-1H-purine-2,6-dioneRefChem:547434651-073-68-(Benzyl(methyl)amino)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione8-[benzyl(methyl)amino]-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dioneOprea1_084405Oprea1_553576AKOS000580689CCG-304126AG-690/40640124
Show more names
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-8-[methyl(phenylmethyl)amino]-7-(2-methylpropyl)-
Database identifiers
- CAS
332904-92-4- PubChem CID
- 839599
- EC Number
- 651-073-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 9 · 9+-.0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 39 reports by companies from 2 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-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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