Basic information
- Standard SMILES
CCCCCCCCNC(C)(C)C(=O)Oc1ccc(S(=O)(=O)O)cc1- InChIKey
UOMKNVZRFRJHDP-UHFFFAOYSA-N- Molecular formula
- C18H29NO5S
- Average molar mass
- 371.5 g/mol
Names & identifiers
- Preferred name
- 4-(Dimethyloctylaminoacetoxy) benzene sulfonic acid
- IUPAC
- 4-[2-methyl-2-(octylamino)propanoyl]oxybenzenesulfonic acid
Names & synonyms
SCHEMBL9788286UOMKNVZRFRJHDP-UHFFFAOYSA-N4-(dimethyloctylaminoacetoxy) benzene sulfonic acid
Database identifiers
- PubChem CID
- 86744513
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
1 records
Compound notes
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