Myristylpyridinium chloride
Basic information
- CAS
2785-54-8- Standard SMILES
CCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]- InChIKey
YFVBASFBIJFBAI-UHFFFAOYSA-M- Molecular formula
- C19H34ClN
- Average molar mass
- 311.9 g/mol
- Monoisotopic mass
- 311.2379778
Names & identifiers
- Preferred name
- Myristylpyridinium chloride
- IUPAC
- 1-tetradecylpyridin-1-ium chloride
- English name
- 1-Tetradecylpyridinium chloride
- Molecular formula
- C19H34ClN
- Molecular weight
- 311.93
Names & synonyms
Tetradecylpyridinium chlorideMyristylpyridinium chloride1-Tetradecylpyridinium chloridePyridinium, 1-tetradecyl-, chloridePyridinium, 1-tetradecyl-, chloride (1:1)UNII-790X3847NMEINECS 220-498-5NSC 82910NSC-82910790X3847NMDTXSID60883891MYRISTYLPYRIDINIUM CHLORIDE [USP-RS]
Show more names
1-tetradecylpyridin-1-ium1-TetradecylpyridiniumchloridTetradecyl chloride, pyridineCepironium chloride impurity I1-tetradecyl-pyridiniuchlorideN-Tetradecylpyridinium chloride1-tetradecylpyridin-1-ium,chloride
MYRISTYLPYRIDINIUM CHLORIDE (USP-RS)RefChem:201872DTXCID7010233732785-54-8Tetradecyl pyridinium chloride1-tetradecylpyridin-1-ium chloride1-tetradecylpyridin-1-ium;chlorideCetylpyridinium Chloride Impurity 1
Database identifiers
- CAS
2785-54-8- PubChem CID
- 17735
- DTXSID
DTXSID60883891- UNII
- 790X3847NM
- EC Number
- 220-498-5
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 77 °C · 77 °C
- solubility
- DMSO (Slightly), Pyridine (Slightly)
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical small molecule
- InChI
- InChI=1S/C19H34N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1
- InChIKey
- YFVBASFBIJFBAI-UHFFFAOYSA-M
- SMILES
- [N+]1(CCCCCCCCCCCCCC)C=CC=CC=1.[Cl-]
- CAS DataBase Reference
- 2785 · 2785-54-8(CAS DataBase Reference)
- FDA UNII
- 790 X3847NM · 790X3847NM
- EPA Substance Registry System
- 1 · Pyridinium, 1-tetradecyl-, chloride (2785-54-8)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- TSCA
- TSCA listed
- HS Code
- 2933399090 · 2933399090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933399090
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridinium, 1-tetradecyl-, chloride (1:1): INACTIVE
Applications
UsesTetradecyl Pyridinium Chloride is deodorant; used in preparation of super absorbent resin for removing adult urine odor.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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