1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
Basic information
- CAS
68413-50-3- Standard SMILES
CCCCCCCCCCCCc1ccc(OCC(O)C[N+](C)(C)C)cc1.[Cl-]- InChIKey
QJSUWTKXJNVMQU-UHFFFAOYSA-M- Molecular formula
- C24H44ClNO2
- Average molar mass
- 414.1 g/mol
- Monoisotopic mass
- 413.3060573
Names & identifiers
- Preferred name
- 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
- IUPAC
- [3-(4-dodecylphenoxy)-2-hydroxypropyl]-trimethylazanium chloride
- English name
- [3-(4-dodecylphenoxy)-2-hydroxypropyl]trimethylammonium chloride
- Molecular formula
- C24H44ClNO2
- Molecular weight
- 414.06466
Names & synonyms
68413-50-3EINECS 270-222-2DTXSID908873671-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)2-Hydroxy-3-(4'-dodecylphenoxy)propyltrimethylammonium chloride(2-Hydroxy-3-(4'-dodecylphenoxy)propyl)trimethylammonium chlorideRefChem:77077DTXCID1010266623-(4-dodecylphenoxy)-2-hydroxy-n,n,n-trimethylpropan-1-aminium chlorideQJSUWTKXJNVMQU-UHFFFAOYSA-M(3-(4-Dodecylphenoxy)-2-hydroxypropyl)trimethylammonium chloride
Show more names
[3-(4-dodecylphenoxy)-2-hydroxypropyl]trimethylammonium chloride
NS00062084
Database identifiers
- CAS
68413-50-3- PubChem CID
- 109348
- DTXSID
DTXSID90887367- EC Number
- 270-222-2
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (68413-50-3)
- 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-Propanaminium, 3-(4-dodecylphenoxy)-2-hydroxy-N,N,N-trimethyl-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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