Trimethylammonium Chloride
fo-a0c6549f2a1cddc6
Identity
- Type
- Chemical salt
- CAS
- 593-81-7
- EC
- 209-810-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
10- (CH3)3N.HCl
- Hegzadesil
- Me3N.HCl
- Methanamine, N,N-dimethyl-, hydrochloride
- Methanamine, N,N-dimethyl-, hydrochloride (1:1)
- N,N-dimethylmethanamine hydrochloride
- N,N-dimethylmethanaminium chloride
- Trimethylamine hydrochloric acid
- trimethylamine monohydrochloride
- Trimethylamine, hydrochloride
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SZYJELPVAFJOGJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H |
| IUPAC name chemrof:IUPAC_name | Trimethylammonium Chloride |
| Molecular formula chemrof:molecular_formula | C3H10ClN, C3H9N.HCl |
| Molecular mass chemrof:molecular_mass | 95.573 |
| Monoisotopic mass chemrof:monoisotopic_mass | 95.050177, 95.05018 |
| SMILES string chemrof:smiles_string | C[NH+](C)C.[Cl-] |
Known URLs
14Where 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 |
|---|---|---|
| bpdb | bpdb:2404 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=593-81-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64700 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.008.920 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5027229 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=91484 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL450057 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UW38SRM77K | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=134803 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10313079 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21359302 | enrich_references.chebi_xrefs |
| reaxys | reaxys:3905063 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1999993 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27133385 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d71259ad-a270-4f0f-89f4-e675fe321766 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 18011f9e-a365-4db8-b0a0-35f36606ad25 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 71403d12-055c-442b-ab70-cb3a998a88a1 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 062352d5-c3d6-450c-80da-e556571c6d5c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4403dce4-9bf3-407c-b016-b71f55632544 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 3d73ddc6-5ea3-49ea-863f-808609a63e19 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 3e6c2336-df7b-4b6c-98d1-d8e94aceb712 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| b5d88dfd-65a8-454f-9c39-dc88c508a9f7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| be43a513-bb9e-4e0c-8707-d346a9cad9d4 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4addccfa-519a-45a4-ae36-123d9fe62842 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 6c25005d-2068-4a2b-b0b2-c3d36629c72e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| e7f16d1d-b183-459a-9378-9ea0ba99b3c6 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| a254f647-43b6-4970-b245-9345d48ec2f8 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "062352d5-c3d6-450c-80da-e556571c6d5c",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"593-81-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=593-81-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=593-81-7"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"209-810-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=209-810-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A hydrochloride salt formed by reaction of equimolar amounts of trimethylamine and hydrogen chloride.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"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