1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
41613-26-7- Standard SMILES
Cn1cc([N+](=O)[O-])c(=O)n(C)c1=O- InChIKey
SDLBIQNBDPOOPJ-UHFFFAOYSA-N- Molecular formula
- C6H7N3O4
- Average molar mass
- 185.14 g/mol
- Monoisotopic mass
- 185.04365571
Names & identifiers
- Preferred name
- 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
- IUPAC
- 1,3-dimethyl-5-nitropyrimidine-2,4-dione
- English name
- 1,3-DIMETHYL-5-NITROURACIL HYDRATE
- Molecular formula
- C6H7N3O4
- Molecular weight
- 185.14
Names & synonyms
1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione41613-26-71,3-Dimethyl-5-nitrouracil hydrate1,3-dimethyl-5-nitropyrimidine-2,4-dione1,3-Dimethyl-5-nitrouracil1,3-dimethyl-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione1,3-dimethyl-5-nitro-2,4(1H,3H)-pyrimidinedioneMFCD000238005-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione1,3-dimethyl-5-nitro-1,3-dihydropyrimidine-2,4-dioneNSC70452EINECS 255-462-8
Show more names
5-Nitro-1,3-dimethyluracil1,3-DIMETHYL-5-NITROURACIL MONOHYDRATE1,3-dimethyl-5-nitro-2,4(1H,3H)pyrimidinedione2,4(1H,3H)-Pyrimidinedione,1,3-dimethyl-5-nitro-1,3-DIMETHYL-5-NITROURACIL HYDRATE ISO 9001：2015 REACH1,3-Dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione hydrate
SCHEMBL480361DTXSID60961840ALBB-004047NSC 70452NSC-70452SBB003716AKOS000321332AKOS015892580
Database identifiers
- CAS
41613-26-7- PubChem CID
- 96370
- DTXSID
DTXSID60961840- EC Number
- 255-462-8
- Nikkaji
- J320.110D
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 155 · 155-160 °C(lit.)
- Boiling point
- 262.7 · 262.7±43.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- -2.68 · -2.68±0.20(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37
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Related reactions
2 records
Compound notes
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