2-Dodecylbenzene-1-sulfonic acid--oxirane--ammonia (1/1/1)
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Basic information
- CAS
68603-68-9- Standard SMILES
C1CO1.CCCCCCCCCCCCc1ccccc1S(=O)(=O)O.N- InChIKey
IDKHMPMHNAARSF-UHFFFAOYSA-N- Molecular formula
- C20H37NO4S
- Average molar mass
- 387.6 g/mol
- Monoisotopic mass
- 387.24432984
Names & identifiers
- Preferred name
- 2-Dodecylbenzene-1-sulfonic acid--oxirane--ammonia (1/1/1)
- IUPAC
- azane;2-dodecylbenzenesulfonic acid;oxirane
Names & synonyms
DTXSID009882782-Dodecylbenzene-1-sulfonic acid--oxirane--ammonia (1/1/1)68603-68-9
Database identifiers
- CAS
68603-68-9、68921-59-5- PubChem CID
- 173148
- DTXSID
DTXSID00988278
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 369
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Compound notes
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