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2,4,5-trimethylaniline Hydrochloride

fo-28169133a2705894

Identity

Type
Molecular complex
CAS
21436-97-5
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,4,5-trimethylaniline Hydrochloride

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HPSNPQBFMPYUOD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H13N.ClH/c1-6-4-8(3)9(10)5-7(6)2;/h4-5H,10H2,1-3H3;1H
IUPAC name chemrof:IUPAC_name 2,4,5-trimethylaniline Hydrochloride
Molecular formula chemrof:molecular_formula C9H14ClN
Molecular mass chemrof:molecular_mass 171.671
Monoisotopic mass chemrof:monoisotopic_mass 171.081477
SMILES string chemrof:smiles_string Cc1cc(C)c(N)cc1C.Cl

Known URLs

5

Where 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=21436-97-5 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021399 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/30628 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5284470 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81983750 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4cb44e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-af68-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c752618d-720f-41f6-a13b-02677e40f6ab Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-af67-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-af69-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-af66-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-af64-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9116-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-af65-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9114-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9058-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9113-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
dd6b76e39646af508b19b04be5abc685135a4218 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
08a91e70-3ddc-11dd-9115-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-28169133a2705894",
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  ],
  "altLabel": [
    {
      "@value": "Aniline, 2,4,5-trimethyl-, hydrochloride",
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    },
    {
      "@value": "Benzenamine, 2,4,5-trimethyl-, hydrochloride",
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      "@value": "Trimethylaniline hydrochloride, 2,4,5-",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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    "seed_uuid": "08a91e70-3ddc-11dd-9058-0050c2490048",
    "seed_source": "EF 3.1",
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      "types": [
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}

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