Basic information
- CAS
573950-86-4- Standard SMILES
CCOC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C- InChIKey
WYOZRRPAKLQHIC-UHFFFAOYSA-N- Molecular formula
- C16H23N5O5
- Average molar mass
- 365.38 g/mol
- Monoisotopic mass
- 365.16991885
Names & identifiers
- Preferred name
- ethyl [1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
- IUPAC
- ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate
- English name
- ethyl 2-(1,3-dimethyl-8-(morpholinomethyl)-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
- Molecular formula
- C16H23N5O5
- Molecular weight
- 365.38
Names & synonyms
ethyl [1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate573950-86-4ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetateMLS000101874CHEMBL1481142HMS2246F16STL340661AKOS001371848CCG-131891UPCMLD0ENAT5834886:001SMR000017840ST51072379
Show more names
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-8-(4-morpholinylmethyl)-2,6-dioxo-, ethyl ester
SR-01000128368SR-01000128368-1Z239082812ETHYL [1,3-DIMETHYL-8-(4-MORPHOLINYLMETHYL)-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL]ACETATEethyl {1,3-dimethyl-8-[(morpholin-4-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetateethyl 2-(1,3-dimethyl-8-(morpholinomethyl)-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetateethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-1,3,7-trihydropurin-7 -yl]acetate
Database identifiers
- CAS
573950-86-4- PubChem CID
- 978628
- ChEMBL
CHEMBL1481142- EC Number
- 114-433-9
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 567
Physicochemical properties
- Boiling point
- 558.7 · 558.7±60.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 5.24 · 5.24±0.10(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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