2-cyano-N-(pyrimidin-2-yl)acetamide
Basic information
- CAS
90158-72-8- Standard SMILES
N#CCC(=O)Nc1ncccn1- InChIKey
ZQQDHDUYVWOSSB-UHFFFAOYSA-N- Molecular formula
- C7H6N4O
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.05416083
Names & identifiers
- Preferred name
- 2-cyano-N-(pyrimidin-2-yl)acetamide
- IUPAC
- 2-cyano-N-pyrimidin-2-ylacetamide
- English name
- 2-cyano-N-pyrimidin-2-ylacetamide
- Molecular formula
- C7H6N4O
- Molecular weight
- 162.15
Names & synonyms
2-cyano-N-(pyrimidin-2-yl)acetamide90158-72-82-cyano-N-pyrimidin-2-ylacetamide2-Cyano-N-2-pyrimidinylacetamideDTXSID301301187QDA15872AKOS000186189EN300-122561G54029Z316158258Acetamide, 2-cyano-N-2-pyrimidinyl-
Database identifiers
- CAS
90158-72-8- PubChem CID
- 4577017
- DTXSID
DTXSID301301187- EC Number
- 186-365-8
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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