Basic information
- CAS
129667-52-3- Standard SMILES
CC(=O)Nc1ccc(C#N)c2ccccc12- InChIKey
COZOJWLUNAGFJN-UHFFFAOYSA-N- Molecular formula
- C13H10N2O
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.07931295
Names & identifiers
- Preferred name
- N-(4-Cyano-1-naphthyl)acetamide
- IUPAC
- N-(4-cyanonaphthalen-1-yl)acetamide
Names & synonyms
N-(4-cyano-1-naphthyl)acetamide129667-52-3RefChem:827511631-389-0N-(4-cyanonaphthalen-1-yl)acetamideNSC166424AKOS024323204NSC-166424N-(4-CYANO-1-NAPHTHYL)-ACETAMIDEAE-562/43458230
Database identifiers
- CAS
129667-52-3- PubChem CID
- 296343
- EC Number
- 631-389-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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