Basic information
- CAS
22946-41-4- Standard SMILES
CC1C=CN(C)C(=O)N1C.O=S(=O)(O)O- InChIKey
XUKXJWQEMLTVFQ-UHFFFAOYSA-N- Molecular formula
- C7H14N2O5S
- Average molar mass
- 238.26 g/mol
- Monoisotopic mass
- 238.06234272
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinone, 3,4-dihydro-1,3,4-trimethyl-, sulfate (1:1)
- IUPAC
- sulfuric acid;1,3,4-trimethyl-4H-pyrimidin-2-one
Names & synonyms
22946-41-4EINECS 245-343-92(1H)-Pyrimidinone, 3,4-dihydro-1,3,4-trimethyl-, sulfate (1:1)DTXSID30885221RefChem:80452DTXCID7010246141H-3,4-Dihydro-1,3,4-trimethyl-2-oxopyrimidinediylium sulphateSCHEMBL6011351XUKXJWQEMLTVFQ-UHFFFAOYSA-NDB-226796NS00056557NS00126221
Show more names
sulfuric acid;1,3,4-trimethyl-4H-pyrimidin-2-oneSulfuric acid--1,3,4-trimethyl-3,4-dihydropyrimidin-2(1H)-one (1/1)
Database identifiers
- CAS
22946-41-4- PubChem CID
- 89912
- DTXSID
DTXSID30885221- EC Number
- 245-343-9
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Pyrimidinone, 3,4-dihydro-1,3,4-trimethyl-, sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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