Consensus flow list

Identity

Type
Chemical salt
CAS
34730-59-1
EC
252-173-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 2-(2-aminoethylamino)ethanesulfonate

Alternative labels

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ROZLDLJVUNEAFL-UHFFFAOYSA-N, VRRABDXZDGRGPC-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 2-(2-aminoethylamino)ethanesulfonate
Molecular formula chemrof:molecular_formula C4H11N2NaO3S, C4H12N2NaO3S
SMILES string chemrof:smiles_string NCCNCCS(=O)(=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=34730-59-1 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131852726 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
f8e863e6-b8ed-4090-ada8-7628f517d493 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
eda1a5a5-e887-4d7e-b48a-238be457c15e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
de2a5a76-f194-46bb-abcd-bc961957ae1c Environmental → Air → Indoor EF 3.1 kg 2
13aef63e-16d1-447d-aa82-7071dacd6536 Environmental → Air → Long-term EF 3.1 kg 0
3cd2a4ab-0ab8-413b-8849-0a3881fe446b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8bc339b5-9d89-4b4a-82ac-978037f82452 Environmental → Air → Unknown EF 3.1 kg 2
ea4f1e29-f725-4995-8bcd-b3a0d0603cd7 Environmental → Ground → Agricultural EF 3.1 kg 2
42a54287-fdec-4c6b-9ce6-3c8d5c0b6eec Environmental → Ground → Non-agricultural EF 3.1 kg 2
dea35bcc-4378-419c-b1d7-5a50ffc80c08 Environmental → Ground → Unknown EF 3.1 kg 2
a4f15021-cfea-41fa-bc9e-512b6f207712 Environmental → Water → Long-term EF 3.1 kg 0
89845bfd-9176-498b-81bb-d0d08dfc488e Environmental → Water → Ocean EF 3.1 kg 2
aac18574-2053-45ed-831b-43e0523d514d Environmental → Water → Surface water EF 3.1 kg 2
6735e830-8339-4155-b224-b579b08c07b1 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-a793139fafc20cfb",
  "prefLabel": [
    {
      "@value": "Sodium 2-(2-aminoethylamino)ethanesulfonate",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-[(2-Aminoethyl)amino]ethanesulfonic acid sodium salt",
      "@language": "en",
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    },
    {
      "@value": "Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, monosodium salt",
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    },
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      "@value": "Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, sodium salt (1:1)",
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    },
    {
      "@value": "W 01COBQV7243",
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        ],
        "C4H11N2NaO3S": [
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        ]
      },
      "rdfs:label": "Molecular formula",
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        {
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      ]
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}

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