1-methyl-1H-imidazole-5-carboxamide
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Basic information
- CAS
40637-81-8- Standard SMILES
Cn1cncc1C(N)=O- InChIKey
FFEDTKQANJQNBP-UHFFFAOYSA-N- Molecular formula
- C5H7N3O
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.05891186
Names & identifiers
- Preferred name
- 1-methyl-1H-imidazole-5-carboxamide
- IUPAC
- 3-methylimidazole-4-carboxamide
- English name
- 1-methyl-1H-imidazole-5-carboxamide
- Molecular formula
- C5H7N3O
- Molecular weight
- 125.13
Names & synonyms
1-Methyl-1H-imidazole-5-carboxamide40637-81-8RefChem:76204822-270-63-methylimidazole-4-carboxamideMFCD015673021-Methylimidazole-5-carboxamideSCHEMBL2638060SCHEMBL3755057CHEMBL5218541DTXSID101292710QBA63781
Show more names
1-Methyl-1H-imidazol-5-carboxamide1-Methylimidazole-5-carboxamide97%1-Methylimidazole-5-carboxamide 95+%1H-Imidazole-5-carboxamide, 1-methyl-
AKOS006223209BS-28155SY192618DB-421685CS-0208863EN300-95430
Database identifiers
- CAS
40637-81-8- PubChem CID
- 2736884
- DTXSID
DTXSID101292710- ChEMBL
CHEMBL5218541- EC Number
- 822-270-6
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
- Boiling point
- 444.8 · 444.8±18.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 15.31 · 15.31±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- 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.
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%)
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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