2-Methyl-3-nitroso-1,3-oxazolidine
Basic information
- CAS
39884-53-2- Standard SMILES
CC1OCCN1N=O- InChIKey
WZXMHOWKASEOKI-UHFFFAOYSA-N- Molecular formula
- C4H8N2O2
- Average molar mass
- 116.12 g/mol
- Monoisotopic mass
- 116.0585775
Names & identifiers
- Preferred name
- 2-Methyl-3-nitroso-1,3-oxazolidine
- IUPAC
- 2-methyl-3-nitroso-1,3-oxazolidine
- English name
- 2-Methyl-3-nitrosooxazolidine
- Molecular formula
- C4H8N2O2
- Molecular weight
- 116.12
Names & synonyms
2-Methyl-3-nitrosooxazolidine2-Methyl-3-nitroso-1,3-oxazolidineCCRIS 402ZAQ3O51BW3UNII-ZAQ3O51BW3N-Nitroso-2-methyl-oxazolidineDTXSID10960429RefChem:197849DTXCID6013882852-METHYL-3-NITROSOOXAZOLIDINE, (+-)-WZXMHOWKASEOKI-UHFFFAOYSA-N39884-53-2
Show more names
Oxazolidine, 2-methyl-3-nitroso-
N-Nitroso-2-methyl-1,3-oxazolidine1,3-OXAZOLIDINE, 2-METHYL-3-NITROSO-Nitroso-2-methyl-1,3-oxazolidineN-Nitroso-2-methyloxazolidin2-METHYL-3-NITROSOOXAZOLIDINE, (+/-)-Q27894474
Database identifiers
- CAS
39884-53-2- PubChem CID
- 38357
- DTXSID
DTXSID10960429- UNII
- ZAQ3O51BW3
- Nikkaji
- J65.708E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 96
Physicochemical properties
- Boiling point
- 217.15 °C · 217.15°C (rough estimate)
- Density
- 1.2829 · 1.2829 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- pka
- -5.9 · -5.90±0.40(Predicted)
- FDA UNII
- 3 O51BW3 · ZAQ3O51BW3
- Toxicity
- 500 mg/plate · mmo-sat 500 mg/plate TCMUD8 1,295,80
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 500 mg/plate TCMUD8 1,295,80
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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