Basic information
- CAS
17994-55-7- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)NC1- InChIKey
DIDVRNLWJBGGQJ-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.08479225
Names & identifiers
- Preferred name
- Ethyl 6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- ethyl 6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- Molecular formula
- C8H12N2O3
- Molecular weight
- 184.19
Names & synonyms
17994-55-7ethyl 6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateDTXSID70351819RefChem:344581DTXCID10302885ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateMFCD001764755-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl esterSMR000146773Oprea1_765607MLS000554656CHEMBL1604913
Show more names
VITAS-BB TBB005560ART-CHEM-BB B029146ethyl 2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
SCHEMBL10830871SCHEMBL22101930HMS2308N15BBL028341SBB023565STK347858STK933141AKOS000313221
Database identifiers
- CAS
17994-55-7- PubChem CID
- 710693
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 253.8 · 253.8-256 °C
- Boiling point
- 273.2 · 273.2±40.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.60(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
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%)
Chemistry & industry
Suppliers3 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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