Basic information
- CAS
1119-50-2- Standard SMILES
CC(=O)NCCC#N- InChIKey
BCCCXAYKRGNVFN-UHFFFAOYSA-N- Molecular formula
- C5H8N2O
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.06366288
Names & identifiers
- Preferred name
- N-(2-Cyanoethyl)acetamide
- IUPAC
- N-(2-cyanoethyl)acetamide
Names & synonyms
N-(2-cyanoethyl)acetamide1119-50-2DTXSID20567988RefChem:360652DTXCID10518762835-965-4Acetamide, N-(2-cyanoethyl)-SCHEMBL48475AKOS009024603EN300-115312G22123
Database identifiers
- CAS
1119-50-2- PubChem CID
- 15084875
- DTXSID
DTXSID20567988- EC Number
- 835-965-4
- Nikkaji
- J443.722E
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 122
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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