Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.NCCCCN- InChIKey
LLBAJCKWSYSJJL-UHFFFAOYSA-N- Molecular formula
- C18H28N2O6S2
- Average molar mass
- 432.6 g/mol
Names & identifiers
- Preferred name
- 1,4-Diaminobutane di-p-toluenesulfonate
- IUPAC
- butane-1,4-diamine;bis(4-methylbenzenesulfonic acid)
Names & synonyms
SCHEMBL10842435LLBAJCKWSYSJJL-UHFFFAOYSA-N1,4-diaminobutane di-p-toluenesulfonate
Database identifiers
- PubChem CID
- 20239771
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 224
Related reactions
3 records
Compound notes
Loading…