Butylamine 4-dodecylbenzenesulfonate (1:1)
Basic information
- CAS
14356-36-6- Standard SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1.CCCCN- InChIKey
PNYUCOCEZXSIBE-UHFFFAOYSA-N- Molecular formula
- C22H41NO3S
- Average molar mass
- 399.6 g/mol
- Monoisotopic mass
- 399.28071534
Overview
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Names & identifiers
- Preferred name
- Butylamine 4-dodecylbenzenesulfonate (1:1)
- IUPAC
- butan-1-amine;4-dodecylbenzenesulfonic acid
Names & synonyms
Butylamine 4-dodecylbenzenesulfonate (1:1)14356-36-6Butylamine 4-dodecylbenzenesulfonateEINECS 238-317-3p-Dodecylbenzenesulphonic acid, compound with butylamine (1:1)4-Dodecylbenzenesulfonic acid, butylamine saltDTXSID5074260PNYUCOCEZXSIBE-UHFFFAOYSA-N4-Dodecylbenzene-1-sulfonic acid--butan-1-amine (1/1)
Database identifiers
- CAS
14356-36-6- PubChem CID
- 61737
- DTXSID
DTXSID5074260- EC Number
- 238-317-3
Properties
Computed structural properties
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 364
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Compound notes
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