Butyl-bis(2-hydroxyethyl)azanium;butyl sulfate
Basic information
- CAS
85959-64-4- Standard SMILES
CCCCOS(=O)(=O)[O-].CCCC[NH+](CCO)CCO- InChIKey
XJJNKIJYDXKFFW-UHFFFAOYSA-N- Molecular formula
- C12H29NO6S
- Average molar mass
- 315.43 g/mol
- Monoisotopic mass
- 315.17155882
Names & identifiers
- Preferred name
- Butyl-bis(2-hydroxyethyl)azanium;butyl sulfate
- IUPAC
- butyl-bis(2-hydroxyethyl)azanium;butyl sulfate
Names & synonyms
NS00092606
Database identifiers
- CAS
85959-64-4- PubChem CID
- 6366118
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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