Basic information
- CAS
39743-22-1- Standard SMILES
Cc1ccc(S(=O)(=O)OCCCN(C)C)cc1- InChIKey
VTWZICMJJJQLKT-UHFFFAOYSA-N- Molecular formula
- C12H19NO3S
- Average molar mass
- 257.35 g/mol
- Monoisotopic mass
- 257.10856447
Names & identifiers
- Preferred name
- 3-(Dimethylamino)propyl 4-methylbenzene-1-sulfonate
- IUPAC
- 3-(dimethylamino)propyl 4-methylbenzenesulfonate
Names & synonyms
39743-22-13-(dimethylamino)propyl 4-methylbenzene-1-sulfonate1-Propanol, 3-(dimethylamino)-, 1-(4-methylbenzenesulfonate)SCHEMBL995109VTWZICMJJJQLKT-UHFFFAOYSA-NDTXSID4011848653-(dimethylamino)propyl-4-methylbenzenesulfonateEN300-6992131toluene-4-sulfonic acid 3-dimethylamino-propyl esterp-toluenesulfonic acid 3-dimethylamino-n-propyl ester
Database identifiers
- CAS
39743-22-1- PubChem CID
- 21455072
- DTXSID
DTXSID401184865
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
9 records
Compound notes
Loading…