2-(1H-imidazol-1-yl)acetamide
Basic information
- CAS
65991-91-5- Standard SMILES
NC(=O)Cn1ccnc1- InChIKey
MEAVLRNBGURMFI-UHFFFAOYSA-N- Molecular formula
- C5H7N3O
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.05891186
Names & identifiers
- Preferred name
- 2-(1H-imidazol-1-yl)acetamide
- IUPAC
- 2-imidazol-1-ylacetamide
- English name
- 2-(1H-IMIDAZOL-1-YL)ACETAMIDE
- Molecular formula
- C5H7N3O
- Molecular weight
- 125.13
Names & synonyms
2-(1H-imidazol-1-yl)acetamide65991-91-5DTXSID30351875RefChem:1060700DTXCID103029412-imidazol-1-ylacetamide1H-Imidazole-1-acetamideMFCD03767172Acetamide, 2-(imidazol-1-yl)-0131AC2-imidazolylacetamide2-imidazol-1-ylethanamide
Show more names
2-(1-imidazolyl)acetamideSCHEMBL1179222SCHEMBL2026602SCHEMBL4603470SCHEMBL5573348MEAVLRNBGURMFI-UHFFFAOYSA-NALBB-012442STK793004
Database identifiers
- CAS
65991-91-5- PubChem CID
- 712343
- DTXSID
DTXSID30351875
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Melting point
- 182 · 182-183 °C
- Boiling point
- 424.3 · 424.3±28.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.78 · 14.78±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933299090 · 2933299090
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
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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