Basic information
- CAS
56955-78-3- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)CC.CCCCCCOc1ccc(C(=O)[O-])cc1- InChIKey
RBBNOVKRLWDEGC-UHFFFAOYSA-M- Molecular formula
- C29H53NO3
- Average molar mass
- 463.7 g/mol
- Monoisotopic mass
- 463.40254455
Names & identifiers
- Preferred name
- 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1)
- IUPAC
- dodecyl-ethyl-dimethylazanium;4-hexoxybenzoate
- English name
- (dodecyl)ethyldimethylammonium p-(hexyloxy)benzoate
- Molecular formula
- C29H53NO3
- Molecular weight
- 463.75
Names & synonyms
56955-78-3Dodecyldimethylethylammonium 4-n-hexoxybenzoateEINECS 260-463-11-Dodecanaminium, N-ethyl-N,N-dimethyl-, salt with 4-(hexyloxy)benzoic acid (1:1)DTXSID80691431-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1)RefChem:75638DTXCID7042142(Dodecyl)ethyldimethylammonium p-(hexyloxy)benzoaten-ethyl-n,n-dimethyldodecan-1-aminium 4-(hexyloxy)benzoateSCHEMBL123686RBBNOVKRLWDEGC-UHFFFAOYSA-M
Show more names
NS00087822
Database identifiers
- CAS
56955-78-3- PubChem CID
- 92586
- DTXSID
DTXSID8069143- EC Number
- 260-463-1
Properties
Computed structural properties
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, salt with 4-(hexyloxy)benzoic acid (1:1) (56955-78-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1): INACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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