ME (3-ME-2,6-Dioxo-8-(1-piperidinyl)-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate
Basic information
- CAS
332388-36-0- Standard SMILES
COC(=O)Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
BLCQYQZYSMFJKB-UHFFFAOYSA-N- Molecular formula
- C14H19N5O4
- Average molar mass
- 321.33 g/mol
- Monoisotopic mass
- 321.1437041
Names & identifiers
- Preferred name
- ME (3-ME-2,6-Dioxo-8-(1-piperidinyl)-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate
- IUPAC
- methyl 2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)acetate
Names & synonyms
332388-36-0ME (3-ME-2,6-DIOXO-8-(1-PIPERIDINYL)-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)ACETATERefChem:810733650-824-5Methyl 2-(3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3-dihydro-1H-purin-7(6H)-yl)acetatemethyl 2-[3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetateOprea1_373086Oprea1_651789AKOS024408688AG-690/40720004methyl [3-methyl-2,6-dioxo-8-(1-piperidinyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Database identifiers
- CAS
332388-36-0- PubChem CID
- 3505877
- EC Number
- 650-824-5
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 507
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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