4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(hydroxymethyl)-
Basic information
- CAS
7327-69-7- Standard SMILES
O=C1N(CO)COCN1CO- InChIKey
QQAVKLGSLZBVBF-UHFFFAOYSA-N- Molecular formula
- C5H10N2O4
- Average molar mass
- 162.14 g/mol
- Monoisotopic mass
- 162.0640568
Names & identifiers
- Preferred name
- 4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(hydroxymethyl)-
- IUPAC
- 3,5-bis(hydroxymethyl)-1,3,5-oxadiazinan-4-one
- English name
- tetrahydro-3,5-bis(hydroxymethyl)-4H-1,3,5-oxadiazin-4-one
- Molecular formula
- C5H10N2O4
- Molecular weight
- 162.1439
Names & synonyms
4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(hydroxymethyl)-3,5-DimethyloluronEINECS 230-807-5Tetrahydro-3,5-bis(hydroxymethyl)-4H-1,3,5-oxadiazin-4-oneDTXSID5064627RefChem:100660DTXCID8047501230-807-57327-69-73,5-bis(hydroxymethyl)-1,3,5-oxadiazinan-4-oneSCHEMBL196670QQAVKLGSLZBVBF-UHFFFAOYSA-N
Show more names
Tetrahydro-4-oxo-2H-1,3,5-oxadiazine-3,5-dimethanol3,5-Bis(hydroxymethyl)tetrahydro-2H-1,3,5-oxadiazin-4-one
DB-234031NS00037489
Database identifiers
- CAS
7327-69-7- PubChem CID
- 81763
- DTXSID
DTXSID5064627- EC Number
- 230-807-5
- Nikkaji
- J24.475I
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- EPA Substance Registry System
- 4 H-1,3,5-Oxadiazin-4-one, · 4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(hydroxymethyl)- (7327-69-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(hydroxymethyl)-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4H-1,3,5-Oxadiazin-4-one, tetrahydro-3,5-bis(hydroxymethyl)-: ACTIVE
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Compound notes
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