4-Tert-butyl-N-cyclohexylbenzamide
Basic information
- CAS
101927-54-2- Standard SMILES
CC(C)(C)c1ccc(C(=O)NC2CCCCC2)cc1- InChIKey
DJDZFKDSRVOBQT-UHFFFAOYSA-N- Molecular formula
- C17H25NO
- Average molar mass
- 259.4 g/mol
- Monoisotopic mass
- 259.19361442
Names & identifiers
- Preferred name
- 4-Tert-butyl-N-cyclohexylbenzamide
- IUPAC
- 4-tert-butyl-N-cyclohexylbenzamide
- English name
- 4-tert-butyl-N-cyclohexylbenzamide
- Molecular formula
- C17H25NO
- Molecular weight
- 259.39
Names & synonyms
4-tert-butyl-N-cyclohexylbenzamide101927-54-2RefChem:526850651-532-04-(tert-Butyl)-N-cyclohexylbenzamideSCHEMBL10212094STK862119AKOS002160723ST014422[4-(tert-butyl)phenyl]-N-cyclohexylcarboxamideAG-690/11668200Z31484256
Show more names
Benzamide, N-cyclohexyl-4-(1,1-dimethylethyl)-
Database identifiers
- CAS
101927-54-2- PubChem CID
- 722347
- EC Number
- 651-532-0
- Nikkaji
- J1.217.721F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 130 · 130-131 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 404.2 · 404.2±24.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 14.86 · 14.86±0.20(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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