Cyclohexaneethanesulfonamide
Basic information
- CAS
4378-98-7- Standard SMILES
NS(=O)(=O)CCC1CCCCC1- InChIKey
ZLYYBOONIHMVRO-UHFFFAOYSA-N- Molecular formula
- C8H17NO2S
- Average molar mass
- 191.29 g/mol
- Monoisotopic mass
- 191.09799996
Names & identifiers
- Preferred name
- Cyclohexaneethanesulfonamide
- IUPAC
- 2-cyclohexylethanesulfonamide
- English name
- 2-cyclohexylethane-1-sulfonamide
- Molecular formula
- C8H17NO2S
- Molecular weight
- 191.29
Names & synonyms
Cyclohexaneethanesulfonamide4378-98-72-CyclohexylethanesulfonamideZyklohexylaethylsulfonamidZyklohexylaethylsulfonamid [German]NSC 22972BRN 2717732DTXSID50195935RefChem:129576DTXCID901184262-cyclohexylethane-1-sulfonamide432J42J6YL
Show more names
NSC-22972NSC22972UNII-432J42J6YLSCHEMBL3174887EAA37898AKOS018964598EN300-247632Z1400796472
Database identifiers
- CAS
4378-98-7- PubChem CID
- 95198
- DTXSID
DTXSID50195935- UNII
- 432J42J6YL
- EC Number
- 865-274-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 326.7 · 326.7±25.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 10.81 · 10.81±0.60(Predicted)
- FDA UNII
- 432 J42J6YL · 432J42J6YL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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