Basic information
- CAS
730949-59-4- Standard SMILES
Cc1cc(C)cc(N(CCC#N)C(=O)CCl)c1- InChIKey
BYWYEBONAMUZGE-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O
- Average molar mass
- 250.72 g/mol
- Monoisotopic mass
- 250.0872908
Names & identifiers
- Preferred name
- 2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
- IUPAC
- 2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
Names & synonyms
2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide730949-59-4RefChem:470022999-568-9MFCD04621444SCHEMBL23818011FEB94959AKOS000122362NCGC00660892-01CS-0221025EN300-08169G31263
Show more names
Z56943351
Database identifiers
- CAS
730949-59-4- PubChem CID
- 2393435
- EC Number
- 999-568-9
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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