1-Dodecanaminium, N,N,N-trimethyl-, diphenyl phosphate (1:1)
Basic information
- CAS
57244-96-9- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)C.O=P([O-])(Oc1ccccc1)Oc1ccccc1- InChIKey
JRJIWSUAKOQLGW-UHFFFAOYSA-M- Molecular formula
- C27H44NO4P
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.30079588
Names & identifiers
- Preferred name
- 1-Dodecanaminium, N,N,N-trimethyl-, diphenyl phosphate (1:1)
- IUPAC
- diphenyl phosphate;dodecyl(trimethyl)azanium
Names & synonyms
1-Dodecanaminium, N,N,N-trimethyl-, diphenyl phosphateDodecyltrimethylammonium diphenyl phosphateDTXSID10691641-Dodecanaminium, N,N,N-trimethyl-, diphenyl phosphate (1:1)RefChem:75633DTXCID304218657244-96-9SCHEMBL6904985JRJIWSUAKOQLGW-UHFFFAOYSA-MN,N,N-Trimethyldodecan-1-aminium diphenyl phosphate
Database identifiers
- CAS
57244-96-9- PubChem CID
- 93595
- DTXSID
DTXSID1069164
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 372
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Dodecanaminium, N,N,N-trimethyl-, diphenyl phosphate (1:1): INACTIVE
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Compound notes
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