sodium 1-(prop-2-en-1-yl)-1H-imidazole-2-carboxylate
Basic information
- CAS
1172703-11-5- Standard SMILES
C=CCn1ccnc1C(=O)[O-].[Na+]- InChIKey
ITJLEYCDAOYKES-UHFFFAOYSA-M- Molecular formula
- C7H7N2NaO2
- Average molar mass
- 174.13 g/mol
- Monoisotopic mass
- 174.04052175
Names & identifiers
- Preferred name
- sodium 1-(prop-2-en-1-yl)-1H-imidazole-2-carboxylate
- IUPAC
- sodium 1-prop-2-enylimidazole-2-carboxylate
Names & synonyms
sodium 1-(prop-2-en-1-yl)-1H-imidazole-2-carboxylate1172703-11-5RefChem:886679979-170-1sodium;1-prop-2-enylimidazole-2-carboxylateAKOS026727523CS-0248695EN300-41060G19935sodium1-(prop-2-en-1-yl)-1H-imidazole-2-carboxylateZ415659654
Database identifiers
- CAS
1172703-11-5- PubChem CID
- 42961319
- EC Number
- 979-170-1
Properties
Computed structural properties
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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