Tridodecylmethylammonium nitrate
Basic information
- CAS
13533-59-0- Standard SMILES
CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.O=[N+]([O-])[O-]- InChIKey
AMIVMTKBZPOVKF-UHFFFAOYSA-N- Molecular formula
- C37H78N2O3
- Average molar mass
- 599 g/mol
- Monoisotopic mass
- 598.60124436
Overview
See also: 1-Dodecanaminium, N,N-didodecyl-N-methyl-, nitrate (annotation moved to).
Names & identifiers
- Preferred name
- Tridodecylmethylammonium nitrate
- IUPAC
- tridodecyl(methyl)azanium nitrate
- English name
- Methyltridodecylammonium nitrate
- Molecular formula
- C37H78N2O3
- Molecular weight
- 599.03
Names & synonyms
Tridodecylmethylammonium nitrateRefChem:899432Methyltridodecylammonium nitrate13533-59-0tridodecyl(methyl)azanium;nitrateSCHEMBL3175195DTXSID00585024Tris(dodecyl)methylammonium nitrateDB-344435N,N-Didodecyl-N-methyldodecan-1-aminium nitrateTridodecylmethylammonium nitrate, Selectophore(TM), >=99.0%
Database identifiers
- CAS
13533-59-0- PubChem CID
- 16218754
- DTXSID
DTXSID00585024
Properties
Computed structural properties
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 33
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Melting point
- 89 · 89-91 °C
- form
- powder
- InChI
- 1S/C37H78N.NO3/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;2-1(3)4/h5-37H2,1-4H3;/q+1;-1
- InChIKey
- AMIVMTKBZPOVKF-UHFFFAOYSA-N
- SMILES
- [O-][N+]([O-])=O.CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC
- UNSPSC Code
- 26111700 · 26111700
- NACRES
- 61 · NB.61
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 38 · 38
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
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
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315
- Hazard Classifications
- Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesSelected application examplesTDMAN has been used in preparing liquid ion-selective electrode membrane during coulometric analysis of nitrate from fresh water samples.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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