Basic information
- CAS
197311-71-0- Standard SMILES
Cc1cc(C)cc(NC(=O)Oc2ccc(C#N)cc2)c1- InChIKey
VNEQYVPYAZXXQN-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- 4-Cyanophenyl N-(3,5-xylyl)carbamate
- IUPAC
- (4-cyanophenyl) N-(3,5-dimethylphenyl)carbamate
Names & synonyms
4-CYANOPHENYL N-(3,5-XYLYL)CARBAMATEAKOS024336039
Database identifiers
- CAS
197311-71-0- PubChem CID
- 5227591
- EC Number
- 114-046-5
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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