Consensus flow list

Identity

Type
MolecularComplex
CAS
869-24-9
EC
212-786-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-chloro-n,n-diethylethanaminium Chloride

Alternative labels

23

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RAGSWDIQBBZLLL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
IUPAC name chemrof:IUPAC_name (2-Chloroethyl)diethylamine monohydrochloride
Molecular formula chemrof:molecular_formula C6H15Cl2N
Molecular mass chemrof:molecular_mass 172.099
Monoisotopic mass chemrof:monoisotopic_mass 171.058155
SMILES string chemrof:smiles_string CCN(CC)CCCl.Cl

Known URLs

10

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=869-24-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.625 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1029203 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2059 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182521 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YCY6EQT3WA enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2921.13.00.00 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13363 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74764624 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27294464 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
54d6a6d5-cf2d-495e-9d45-994a4aaf8042 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1ad42354-4cd0-4353-a96b-8772f92f6b5e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0815339d-cd85-4d0c-9a89-965d3ee69b8b Environmental → Air → Indoor EF 3.1 kg 2
ef0fecd8-cf44-4229-bf30-48ff8004a937 Environmental → Air → Long-term EF 3.1 kg 0
26a9de61-ec5c-472c-a1fc-0b5b0783cb3f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
eef877f7-badc-4ba9-8ec8-f69e05e9c7e0 Environmental → Air → Unknown EF 3.1 kg 2
00849265-40ff-4017-b914-b16a866365af Environmental → Ground → Agricultural EF 3.1 kg 2
b6ecfeed-269b-45b8-9ce4-fae9f9a22a0a Environmental → Ground → Non-agricultural EF 3.1 kg 2
753e2db1-85be-4f22-8a8b-c057db026dc2 Environmental → Ground → Unknown EF 3.1 kg 2
a16a6d55-c193-4fc7-b913-df27221dba99 Environmental → Water → Long-term EF 3.1 kg 0
4db0338b-9ebc-4a3e-b595-077d40e53e53 Environmental → Water → Ocean EF 3.1 kg 2
917a6b74-ff7e-46a9-8e21-df0061b00838 Environmental → Water → Surface water EF 3.1 kg 2
3ac3eff8-7298-4d69-8ca7-25b14d7813a2 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-842e63cffd7bbdd7",
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    },
    {
      "@value": "2-Chloro-N,N-diethylethan-1-amine hydrochloride",
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      }
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    {
      "@value": "2-Chloro-N,N-diethylethylamine hydrochloride",
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    {
      "@value": "2-Chloroethyldiethylammonium chloride",
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        ],
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    },
    {
      "@value": "2-Chlorotriethylamine hydrochloride",
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    {
      "@value": "Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride",
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    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Diethyl-2-chloroethylamine hydrochloride",
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        ],
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    },
    {
      "@value": "N,N-Diethyl-β-chloroethylamine hydrochloride",
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    {
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    },
    {
      "@value": "N-2-Chloroethyl-N,N-diethylammonium hydrochloride",
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        ],
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    },
    {
      "@value": "Triethylamine, 2-chloro-, hydrochloride",
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    {
      "@value": "β-(Diethylamino)ethyl chloride hydrochloride",
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    },
    {
      "@value": "β-Chloroethyldiethylamine hydrochloride",
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  "properties": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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