1-methyl-1H-imidazole-2-carboxamide
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Basic information
- CAS
20062-51-5- Standard SMILES
Cn1ccnc1C(N)=O- InChIKey
UIKPUVLIJJJXNA-UHFFFAOYSA-N- Molecular formula
- C5H7N3O
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.05891184
Names & identifiers
- Preferred name
- 1-methyl-1H-imidazole-2-carboxamide
- IUPAC
- 1-methylimidazole-2-carboxamide
- English name
- 1-Methyl-1H-imidazole-2-carboxylic acid amide
- Molecular formula
- C5H7N3O
- Molecular weight
- 125.13
Names & synonyms
1-Methyl-1H-imidazole-2-carboxamide20062-51-5DTXSID30332240RefChem:231483DTXCID80283334839-370-01-methylimidazole-2-carboxamide1-methyl-1H-imidazole-2-carboxylic acid amide1H-Imidazole-2-carboxamide, 1-methyl-MFCD00794989SCHEMBL284636SCHEMBL284637
Show more names
AKOS006339901Imidazole, 2-aminocarbonyl-1-methyl-SB351561-Methyl-1H-imidazole-2-carboxamide #DA-08526CS-04492501J-012G22874
Database identifiers
- CAS
20062-51-5- PubChem CID
- 447041
- DTXSID
DTXSID30332240- EC Number
- 839-370-0
- Nikkaji
- J1.495.661A
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Melting point
- 165 · 165-167 °C
- Boiling point
- 313.3 · 313.3±25.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 15.55 · 15.55±0.50(Predicted)
- Comptox DTXSID
- 30332240 · DTXSID30332240
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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