Basic information
- CAS
5329-43-1- Standard SMILES
O=c1[nH]c2ccccc2c(=O)n1O- InChIKey
TZZSQUATPYDROZ-UHFFFAOYSA-N- Molecular formula
- C8H6N2O3
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.03784206
Names & identifiers
- Preferred name
- 3-Hydroxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
- IUPAC
- 3-hydroxy-1H-quinazoline-2,4-dione
Names & synonyms
3-hydroxy-1,2,3,4-tetrahydroquinazoline-2,4-dione3-HYDROXY-2,4(1H,3H)-QUINAZOLINEDIONERefChem:502268844-726-35329-43-13-hydroxyquinazoline-2,4(1H,3H)-dione3-hydroxy-1H-quinazoline-2,4-dione3-hydroxy-quinazoline-2,4-dione2,4(1H,3H)-Quinazolinedione,3-hydroxy-CHEMBL183852NSC-2552NSC2552
Show more names
N-hydroxy quinazolinedione, 43T2LR7P4T3SCHEMBL15207083-hydroxyquinazoline-2,4-dioneSCHEMBL29933774BDBM33412DTXSID00277492FAA32943
Database identifiers
- CAS
5329-43-1- PubChem CID
- 220188
- DTXSID
DTXSID00277492- ChEMBL
CHEMBL183852- UNII
- 3T2LR7P4T3
- EC Number
- 844-726-3
- Nikkaji
- J605.353J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 254
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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