4-((2-Hydroxyethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid
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Basic information
- CAS
147194-40-9- Standard SMILES
O=C(O)c1nonc1NCCO- InChIKey
JCWMVCTUTXHXFH-UHFFFAOYSA-N- Molecular formula
- C5H7N3O4
- Average molar mass
- 173.13 g/mol
- Monoisotopic mass
- 173.04365571
Names & identifiers
- Preferred name
- 4-((2-Hydroxyethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid
- IUPAC
- 4-(2-hydroxyethylamino)-1,2,5-oxadiazole-3-carboxylic acid
- English name
- 4-(2-HYDROXY-ETHYLAMINO)-FURAZAN-3-CARBOXYLIC ACID
- Molecular formula
- C5H7N3O4
- Molecular weight
- 173.13
Names & synonyms
147194-40-94-(2-Hydroxy-ethylamino)-furazan-3-carboxylic acid4-((2-Hydroxyethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid4-[(2-Hydroxyethyl)amino]-1,2,5-oxadiazole-3-carboxylic acid4-(2-hydroxyethylamino)-1,2,5-oxadiazole-3-carboxylic acidFurazancarboxylic acid, [(2-hydroxyethyl)amino]-Oprea1_431131Oprea1_8155201,2,5-oxadiazole, OXD3SCHEMBL14399037BDBM23235DTXSID10340747
Show more names
1,2,5-Oxadiazole-3-carboxylic acid, 4-[(2-hydroxyethyl)amino]-1,2,5-Oxadiazole-3-carboxylicacid,4-[(2-hydroxyethyl)amino]-(9CI)
JCWMVCTUTXHXFH-UHFFFAOYSA-NMFCD00984735STK374257AKOS000678463CS-0328699ST50243152AH-034/119644434-(2-oxyethylamino)-1,2,5-oxadiazole-3-carboxylic acid
Database identifiers
- CAS
147194-40-9- PubChem CID
- 567013
- DTXSID
DTXSID10340747
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 456.7 · 456.7±55.0 °C(Predicted)
- Density
- 1.653 · 1.653±0.06 g/cm3(Predicted)
- pka
- 2.25 · 2.25±0.36(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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