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Diethyl 2-Oxo-1,2-dihydro-4,5-pyrimidinedicarboxylate

HCID 334002
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
62328-19-2
Standard SMILES
CCOC(=O)c1cnc(=O)[nH]c1C(=O)OCC
InChIKey
KEYDXTIGCHRNQI-UHFFFAOYSA-N
Molecular formula
C10H12N2O5
Average molar mass
240.21 g/mol
Monoisotopic mass
240.07462149

Names & identifiers

Preferred name
Diethyl 2-Oxo-1,2-dihydro-4,5-pyrimidinedicarboxylate
IUPAC
diethyl 2-oxo-1H-pyrimidine-5,6-dicarboxylate
English name
Diethyl 2-Oxo-1,2-dihydro-4,5-pyriMidinedicarboxylate
Molecular formula
C10H12N2O5
Molecular weight
240.21

Names & synonyms

62328-19-2Diethyl 2-Oxo-1,2-dihydro-4,5-pyrimidinedicarboxylateMFCD18375233Diethyl 2-oxo-1,2-dihydropyrimidine-4,5-dicarboxylatediethyl 2-oxo-1H-pyrimidine-5,6-dicarboxylatediethyl 2-hydroxypyrimidine-4,5-dicarboxylateNSC3381914,5-Pyrimidinedicarboxylic acid, 1,2-dihydro-2-oxo-, diethyl esterDiethyl2-Oxo-1,2-dihydro-4,5-pyrimidinedicarboxylateSCHEMBL8394462DTXSID60318956KEYDXTIGCHRNQI-UHFFFAOYSA-N
Show more names
iethyl2-oxo-1H-pyrimidine-5,6-dicarboxylatediethyl 2-oxo-5H-pyrimidine-4,5-dicarboxylate4,5-Pyrimidinedicarboxylic acid, 2,3-dihydro-2-oxo-, 4,5-diethyl esterDiethyl 2-Oxo-1,2-dihydro-4,5-pyriMidinedicarboxylate ISO 9001:2015 REACH
AKOS015917188AKOS022183658NSC-338191SB58657AS-31692SY007069DB-020672CS-0454404

Database identifiers

CAS
62328-19-2
PubChem CID
334002
DTXSID
DTXSID60318956

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
94.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
411

Physicochemical properties

Melting point
161 · 161-162 °C
Density
1.352 · 1.352±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
2 · 2-8°C
pka
5.543 · 5.543±0.10(predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H320-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H320-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers9 total

韶远科技(上海)有限公司4000665055 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]

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Compound notes

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