Tetrahydro-5-hydroxy-1H-pyrimidin-2-one
Basic information
- CAS
1852-18-2- Standard SMILES
O=C1NCC(O)CN1- InChIKey
PZSCGIVZIUKDAJ-UHFFFAOYSA-N- Molecular formula
- C4H8N2O2
- Average molar mass
- 116.12 g/mol
- Monoisotopic mass
- 116.0585775
Names & identifiers
- Preferred name
- Tetrahydro-5-hydroxy-1H-pyrimidin-2-one
- IUPAC
- 5-hydroxy-1,3-diazinan-2-one
- English name
- tetrahydro-5-hydroxy-1H-pyrimidin-2-one
- Molecular formula
- C4H8N2O2
- Molecular weight
- 116.12
Names & synonyms
Tetrahydro-5-hydroxy-1H-pyrimidin-2-oneEINECS 217-444-8DTXSID80171742NSC 38458NSC 53289RefChem:897142DTXCID0094233217-444-81852-18-25-hydroxy-1,3-diazinan-2-one5-hydroxytetrahydropyrimidin-2(1h)-one5-hydroxytetrahydro-2(1H)-pyrimidinone
Show more names
tetrahydro-5-hydroxy-2(1H)-pyrimidineone
MFCD039316562(1H)-Pyrimidinone,tetrahydro-5-hydroxy-tetrahydro-5-hydroxy-2(1H)-pyrimidinoneNSC532895-Hydroxy-propylenharnstoffSCHEMBL4717925-hydroxyhexahydropyrimidin-2-onePZSCGIVZIUKDAJ-UHFFFAOYSA-N
Database identifiers
- CAS
1852-18-2- PubChem CID
- 74616
- DTXSID
DTXSID80171742- EC Number
- 217-444-8
- Nikkaji
- J199.667C
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 94.2
Physicochemical properties
- Melting point
- 210 · 210-211 °C
- Boiling point
- 446 · 446.0±38.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.72 · 13.72±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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