Consensus flow list

Sodium [dodecanoyl(methyl)amino]acetate

fo-71f4a21abdfea29e

Identity

Type
Chemical salt
CAS
137-16-6
EC
205-281-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Sodium [dodecanoyl(methyl)amino]acetate

Alternative labels

68

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KSAVQLQVUXSOCR-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C15H29NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium [dodecanoyl(methyl)amino]acetate
Molecular formula chemrof:molecular_formula C15H28NNaO3
Molecular mass chemrof:molecular_mass 293.383
Monoisotopic mass chemrof:monoisotopic_mass 271.214744, 293.196688
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]

Known URLs

3

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=137-16-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:183704 enrich_references.chebi_id_link
ChemSpider https://www.chemspider.com/Chemical-Structure.8392.html enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
515162d4-080b-434e-8ce4-4c1bc4f7b3a2 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ceddf6be-bda6-4b40-b790-7bb0bdaf098f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ccf34b54-919e-479a-8dea-308208f9e047 Environmental → Air → Indoor EF 3.1 kg 4
e6e9cf43-6d25-4db5-931a-f2da3eb447a8 Environmental → Air → Long-term EF 3.1 kg 0
d9a8c40b-f114-450b-bbec-12b980d60b46 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
39e9539b-ddc9-4d54-a868-74031f9e6f09 Environmental → Air → Unknown EF 3.1 kg 4
7b920fda-d299-4fb7-99ba-4cd7fa9b5e0d Environmental → Ground → Agricultural EF 3.1 kg 4
30c5cf68-fd9d-43d3-bc2f-2a2d730604b6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
eacb2358-cdab-46ea-9ff4-c2d97ea16fa6 Environmental → Ground → Unknown EF 3.1 kg 4
629091f5-8d69-468c-828b-c0783b6f6366 Environmental → Water → Long-term EF 3.1 kg 0
337c82a7-20e0-47f7-a94f-e46958301946 Environmental → Water → Ocean EF 3.1 kg 4
2963c43d-48b4-4c28-b592-fb0cab48cff1 Environmental → Water → Surface water EF 3.1 kg 4
c5d128a6-cbd4-42da-a35c-762591e74620 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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    {
      "@value": "N-Dodecanoyl-N-methylglycine sodium salt",
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      "@value": "N-Dodecanoylsarcosine sodium salt",
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      "@value": "N-Lauroyl-N-methylglycine sodium salt",
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    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "137-16-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=137-16-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=137-16-6"
        }
      ],
      "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": [
        "205-281-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=205-281-5"
      ],
      "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,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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