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Sodium 3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate

fo-9d6b610cc70c6e7a

Identity

Type
Chemical salt
CAS
94441-92-6
EC
305-318-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JWWCHBDQFFMRBC-UHFFFAOYSA-N, WVQFKDGIJVWORA-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C14H27NO4.Na/c1-3-5-6-12(4-2)11-15(9-7-13(16)17)10-8-14(18)19;/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 3-[(2-carboxyethyl)(2-ethylhexyl)amino]propanoate
Molecular formula chemrof:molecular_formula C14H26NNaO4, C14H27NNaO4
SMILES string chemrof:smiles_string CCCCC(CC)CN(CCC(=O)[O-])CCC(=O)O.[Na+]

Known URLs

2

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=94441-92-6 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/121513997 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
d328e52a-e573-418a-b173-f1ebf7d51388 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a4986508-9e93-4f3e-b80a-c90d86c745a0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b4f1acf1-f97e-4249-97fe-88d41458e49a Environmental → Air → Indoor EF 3.1 kg 4
e1ca5210-8fa3-4e9f-99a3-3193e170cf23 Environmental → Air → Long-term EF 3.1 kg 0
42544465-909e-43d1-962d-fdcecff8ad68 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f518eb02-c783-472f-92eb-9f1d048a8dc4 Environmental → Air → Unknown EF 3.1 kg 4
a7b6c248-61f2-4cbc-9f0b-6a2eb9c63592 Environmental → Ground → Agricultural EF 3.1 kg 4
370f044c-e7ac-4c69-90ee-60536676254a Environmental → Ground → Non-agricultural EF 3.1 kg 4
22d09d62-b00a-4e5b-8067-e80f4ec5751a Environmental → Ground → Unknown EF 3.1 kg 4
8b2d0727-2a43-432d-956a-1a2169576871 Environmental → Water → Long-term EF 3.1 kg 0
fc0d090d-bd6e-4e4e-8159-51dc5fbf1a7f Environmental → Water → Ocean EF 3.1 kg 4
73c1b603-8196-423c-b09f-4c8ea510f419 Environmental → Water → Surface water EF 3.1 kg 4
e22863c8-b969-4472-97b2-11e49bbae9af Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9d6b610cc70c6e7a",
  "prefLabel": [
    {
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      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "Amphotensid EH",
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      "@lang": "en",
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    },
    {
      "@value": "ColaTeric ZF 50",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 2-ethylhexyliminodipropionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Alanine, N-(2-carboxyethyl)-N-(2-ethylhexyl)-, monosodium salt",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "β-Alanine, N-(2-carboxyethyl)-N-(2-ethylhexyl)-, sodium salt (1:1)",
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        },
        {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      "attested_by": {
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  },
  "references": [
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.by_cas[94441-92-6]"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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