1-Pentanaminium, N,N,N-tripentyl-, chloride (1:1)
Basic information
- CAS
4965-17-7- Standard SMILES
CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-]- InChIKey
SXAWRMKQZKPHNJ-UHFFFAOYSA-M- Molecular formula
- C20H44ClN
- Average molar mass
- 334 g/mol
- Monoisotopic mass
- 333.3162281
Names & identifiers
- Preferred name
- 1-Pentanaminium, N,N,N-tripentyl-, chloride (1:1)
- IUPAC
- tetrapentylazanium chloride
- English name
- Tetra-n-pentylammonium chloride
- Molecular formula
- C20H44ClN
- Molecular weight
- 334.03
Names & synonyms
Tetrapentylammonium chloride4965-17-7Tetraamylammonium chlorideTetrapentyl ammonium chlorideAmmonium, tetrapentyl-, chloride1-Pentanaminium, N,N,N-tripentyl-, chloride9FK64TS6PYNSC-973691-Pentanaminium, N,N,N-tripentyl-, chloride (1:1)DTXSID00884120RefChem:188829DTXCID501023589
Show more names
tetraamylammoniumchlorideetrapentylazanium,chloridetetrapentyl-ammoniuchlorideTetrapentylammonium chloride 99%Tetrapentylammonium chloride,97%Tetra-n-pentylammoniumchloride,99%n,n,n-tripentyl-1-pentanaminiuchloride
225-606-4Tetra-n-amylammonium chlorideTetraammylammonium chloridetetrapentylazanium;chlorideMFCD00011857tetra-n-pentylammonium chlorideEINECS 225-606-4tetrapentylazanium,chloride
Database identifiers
- CAS
4965-17-7- PubChem CID
- 78667
- DTXSID
DTXSID00884120- UNII
- 9FK64TS6PY
- EC Number
- 225-606-4
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionWhite hygroscopic crystals; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 195 °C · ~195 °C
- vapor density
- 11.5 · 11.5 (vs air)
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- almost transparency in Water
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 3573674 · 3573674
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
- InChIKey
- SXAWRMKQZKPHNJ-UHFFFAOYSA-M
- SMILES
- [N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[Cl-]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards Summary
Causes tremor, somnolence, and dermatitis in dermal lethal-dose studies of guinea pigs; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; May cause skin sensitization; [Sigma-Aldrich MSDS] Search for (4965-17-7[EC/RN Number]) AND (sensitizer OR sensitization OR allergic OR dermatitis): no results; [PubMed]
Hazard Classes and CategoriesSkin Corr. 1B (97.6%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 3
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RZ9275000
- ridadr
- UN 2928 6.1/PG 2
- hs_code
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Pentanaminium, N,N,N-tripentyl-, chloride (1:1): INACTIVE
Applications
UsesTetraamylammonium chloride is an organic compound containing ammonium and chloride ions. It is commonly used as a phase transfer catalyst in organic synthesis, especially in the production of pharmaceuticals and agrochemicals. Tetraamylammonium Chloride has a strong base that facilitates the transfer of reactants between immiscible solvents, resulting in more efficient chemical reactions. In addition, it can also be used as an intermediate in the synthesis of other quaternary ammonium compounds.
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Compound notes
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