Basic information
- CAS
16813-36-8- Standard SMILES
O=NN1CCC(=O)NC1=O- InChIKey
NTUQAPWIPIIWLT-UHFFFAOYSA-N- Molecular formula
- C4H5N3O3
- Average molar mass
- 143.1 g/mol
- Monoisotopic mass
- 143.03309103
Names & identifiers
- Preferred name
- Dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 1-nitroso-1,3-diazinane-2,4-dione
- English name
- 1-nitroso-5,6-dihydrouracil
- Molecular formula
- C4H5N3O3
- Molecular weight
- 143.1
Names & synonyms
1-Nitroso-5,6-dihydrouracilHydrouracil, 1-nitroso-16813-36-83MY7H215CV2,4(1H,3H)-Pyrimidinedione, dihydro-1-nitroso-DTXSID6020989NSC-90999DIHYDRO-1-NITROSO-2,4(1H,3H)-PYRIMIDINEDIONERefChem:76616DTXCID209891-nitroso-1,3-diazinane-2,4-dioneNDHU
Show more names
N-Nitroso-5,6-dihydrouracil5,6-Dihydro-1-nitrosopyrimidine-2,4(1H,3H)-dione5,6-Dihydro-1-nitroso-2,4(1H,3H)-pyrimidinedione
NO-DhuCCRIS 1563Uracil, 5,6-dihydro-1-nitroso-NSC 90999BRN 07796361-nitrosodihydropyrimidine-2,4(1H,3H)-dioneN-nitrosodihydrouracilWLN: T6NVMVTJ ANO
Database identifiers
- CAS
16813-36-8- PubChem CID
- 85598
- DTXSID
DTXSID6020989- UNII
- 3MY7H215CV
- Nikkaji
- J2.747B
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 261.16 °C · 261.16°C (rough estimate)
- Density
- 1.6062 · 1.6062 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- FDA UNII
- 3 MY7H215CV · 3MY7H215CV
- Toxicity
- 2900 nmol/L · mmo-sat 2900 nmol/L MUREAV 48,131,77
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
- Toxicity
- mmo-sat 2900 nmol/L MUREAV 48,131,77
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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