Basic information
- CAS
63982-22-9- Standard SMILES
CCCCCCCCS(=O)(=O)NC(=O)OCC- InChIKey
PTIPDPUBNRRYBK-UHFFFAOYSA-N- Molecular formula
- C11H23NO4S
- Average molar mass
- 265.37 g/mol
- Monoisotopic mass
- 265.13477939
Names & identifiers
- Preferred name
- Carbamic acid, octylsulfonyl-, ethyl ester
- IUPAC
- ethyl N-octylsulfonylcarbamate
- English name
- N-(Octylsulfonyl)carbamic acid ethyl ester
- Molecular formula
- C11H23NO4S
- Molecular weight
- 265.37
Names & synonyms
CARBAMIC ACID, OCTYLSULFONYL-, ETHYL ESTEREthyl-N-(n-octylsulfonyl)carbamate63982-22-9DTXSID80213893RefChem:332718DTXCID10136384N-(Octylsulfonyl)carbamic acid ethyl esterEthyl (octane-1-sulfonyl)carbamateDB-320540Carbamic acid, (octylsulfonyl)-, ethyl ester (9CI)
Database identifiers
- CAS
63982-22-9- PubChem CID
- 46077
- DTXSID
DTXSID80213893- Nikkaji
- J69.374J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- 5.15 · 5.15±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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