Basic information
- CAS
870888-97-4- Standard SMILES
O=S(=O)(O)c1ccc(N2CCCC2)c2ccccc12- InChIKey
FEFLSCYBKBFGSA-UHFFFAOYSA-N- Molecular formula
- C14H15NO3S
- Average molar mass
- 277.34 g/mol
- Monoisotopic mass
- 277.07726451
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 4-(1-pyrrolidinyl)-
- IUPAC
- 4-pyrrolidin-1-ylnaphthalene-1-sulfonic acid
Names & synonyms
870888-97-41-Naphthalenesulfonic acid, 4-(1-pyrrolidinyl)-4-(PYRROLIDIN-1-YL)NAPHTHALENE-1-SULFONIC ACIDSCHEMBL4877895DTXSID00469739
Database identifiers
- CAS
870888-97-4- PubChem CID
- 11630495
- DTXSID
DTXSID00469739
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…