Basic information
- CAS
906073-08-3- Standard SMILES
CCCCCCCCNCCC(C)S(=O)(=O)O- InChIKey
VBHVFBBGPLVCLZ-UHFFFAOYSA-N- Molecular formula
- C12H27NO3S
- Average molar mass
- 265.42 g/mol
- Monoisotopic mass
- 265.17116472
Names & identifiers
- Preferred name
- 4-(Octylamino)butane-2-sulfonic acid
- IUPAC
- 4-(octylamino)butane-2-sulfonic acid
Names & synonyms
4-(OCTYLAMINO)BUTANE-2-SULFONIC ACID906073-08-3SCHEMBL354903DTXSID80730636VBHVFBBGPLVCLZ-UHFFFAOYSA-N4-(octylamino)-2-butanesulfonic acid
Database identifiers
- CAS
906073-08-3- PubChem CID
- 58931817
- DTXSID
DTXSID80730636
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
1 records
Compound notes
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