Stearyltrimethylammonium chloride
fo-080a80f7130cf355
Identity
- Type
- Chemical salt
- CAS
- 112-03-8
- EC
- 203-929-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
59- 1-Octadecanaminium, N,N,N-trimethyl-, chloride
- 1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1)
- Aliquat 7
- Ammonium, trimethyloctadecyl-, chloride
- AQ 18-63
- Arcade T 800
- Arquad 18
- Arquad 18-50
- Arquad 18-55
- Arquad 18-63
- Boraquat P 30
- Cathinal LTC 25W
- Catinal STC 25AQ
- Catinal STC 25W
- Catinal STC 70ET
- Catinal STC 80
- Catinal STS 80
- Catiogen TMS
- Cation AB
- Cation AB 250AQ
- Cation AB 600
- Cationic emulsifier 1831
- Cationic surfactant 1831
- Cortamine 86P
- Dehyquart B
- Econol TMS 28
- Electrostripper QE
- Genamin STAC
- Genamin STACP
- Kamin RMS
- Kotamin 86P
- Lebon TM 18
- Lipo Gard 18-63
- Lipoquad T 800
- Lipoquad T 833
- Miconium STAC 65
- Miconium STMS
- Monostearyltrimethylammonium chloride
- N,n,n-trimethyloctadecan-1-aminium Chloride
- Nikkol CA 2450
- Nikkol CA 2465
- Nikkol NET-SG 60C
- Nissan Cation AB
- Nissan Cation AB 600
- Octadecyltrimethylammonium chloride
- Q-S-T 50
- Quartamin 80W
- Quartamin 86
- Quartamin 86P
- Quartamin 86P Conc
- Quartamin 86W
- Quartamin P 85
- Quaternium 10
- Stearimonium chloride
- Steartrimonium chloride
- Stearyltrimonium chloride
- Trimethyloctadecylammonium chloride
- Trimethylstearylammonium chloride
- Varisoft TSC
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VBIIFPGSPJYLRR-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1 |
| IUPAC name chemrof:IUPAC_name | Stearyltrimethylammonium chloride |
| Molecular formula chemrof:molecular_formula | C21H46ClN, C21H46N.Cl |
| Molecular mass chemrof:molecular_mass | 348.059 |
| Monoisotopic mass chemrof:monoisotopic_mass | 347.331878, 347.33188 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-] |
Known URLs
10Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=112-03-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81710 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.572 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1026902 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL118745 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CZ70647U92 | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18371 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18371 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8155 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27155573 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0aae4576-a36f-4051-a9d0-20078b2e6c4f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| e3e8acc2-57c0-4036-9769-e18476392b19 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 5db1c641-09b8-4c96-918a-6bb54135dd0a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 52c69fc3-6369-452b-ae47-a1dee720ae97 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 123dd410-723f-42dc-9cdc-4df125cb86d1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f9084c27-f297-4ef3-94f4-ea4d1ac2b636 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| ee420f78-e616-46a7-ae51-9f08971ede7d | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| d158db34-2c99-4533-8936-b2a100508d8e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 30bf9689-7a9f-4f11-bca1-428b5f192be8 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 87d9c3dd-ccaf-4896-a0d0-37a50a70abab | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 6a866ba7-0a39-437c-81b9-74b64aaf6775 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 55ca5f26-174c-44d3-982a-4655d59ba1bf | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| f0fbba37-3b1a-482e-accf-54bebbc3d8ae | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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{
"@value": "N,n,n-trimethyloctadecan-1-aminium Chloride",
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"https://w3id.org/chemrof/ChemicalSalt"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works