2-cyano-N-(pyridin-4-yl)acetamide
Basic information
- CAS
400088-55-3- Standard SMILES
N#CCC(=O)Nc1ccncc1- InChIKey
NXYFYWIFFJYFCE-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Names & identifiers
- Preferred name
- 2-cyano-N-(pyridin-4-yl)acetamide
- IUPAC
- 2-cyano-N-pyridin-4-ylacetamide
- English name
- 2-cyano-N-pyridin-4-ylacetamide
- Molecular formula
- C8H7N3O
- Molecular weight
- 161.16
Names & synonyms
2-cyano-N-(pyridin-4-yl)acetamide400088-55-3RefChem:470706973-083-22-cyano-N-pyridin-4-ylacetamideMaybridge4_000896SCHEMBL31165879HMS1523I16ARA08855CCG-46773MFCD01570101AKOS000169870
Show more names
Acetamide, 2-cyano-N-4-pyridinyl-
IDI1_031478SY1464009B-064EN300-122558G42949SR-01000636447-1
Database identifiers
- CAS
400088-55-3- PubChem CID
- 2806410
- EC Number
- 973-083-2
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 445.8 · 445.8±25.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.10(Predicted)
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, P317, 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%)
Suppliers
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Related reactions
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Compound notes
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