Ethyl 4-[(cyclohexylcarbamoyl)amino]benzoate
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Basic information
- CAS
544438-17-7- Standard SMILES
CCOC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1- InChIKey
RTTJNTGJMIGJIX-UHFFFAOYSA-N- Molecular formula
- C16H22N2O3
- Average molar mass
- 290.36 g/mol
- Monoisotopic mass
- 290.16304257
Names & identifiers
- Preferred name
- Ethyl 4-[(cyclohexylcarbamoyl)amino]benzoate
- IUPAC
- ethyl 4-(cyclohexylcarbamoylamino)benzoate
- English name
- Ethyl 4-[(cyclohexylcarbamoyl)amino]benzoate
- Molecular formula
- C16H22N2O3
- Molecular weight
- 290.36
Names & synonyms
ethyl 4-[(cyclohexylcarbamoyl)amino]benzoate544438-17-7ethyl 4-(cyclohexylcarbamoylamino)benzoateEthyl 4-(3-cyclohexylureido)benzoateethyl 4-{[(cyclohexylamino)carbonyl]amino}benzoateMFCD01472406AN-329/42295029STL069106AKOS000497852FF-0707ethyl4-[(cyclohexylcarbamoyl)amino]benzoateCS-0322945
Show more names
Benzoic acid, 4-[[(cyclohexylamino)carbonyl]amino]-, ethyl ester
ST45045385ethyl 4-[(cyclohexylamino)carbonylamino]benzoate
Database identifiers
- CAS
544438-17-7- PubChem CID
- 855001
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 417.8 · 417.8±37.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 13.5 · 13.50±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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