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Sodium 2-amino-5-methylbenzenesulfonate

fo-204dc2b81cf43d54

Identity

Type
Chemical salt
CAS
54914-95-3
EC
611-210-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 2-amino-5-methylbenzenesulfonate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NCANISFVEJYHKE-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9NO3S.Na/c1-5-2-3-6(8)7(4-5)12(9,10)11;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 2-amino-5-methylbenzenesulfonate
Molecular formula chemrof:molecular_formula C7H8NNaO3S
Molecular mass chemrof:molecular_mass 209.202
Monoisotopic mass chemrof:monoisotopic_mass 209.012258
SMILES string chemrof:smiles_string Cc1ccc(N)c(S(=O)(=O)[O-])c1.[Na+]

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=54914-95-3 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201334981 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.443C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23681683 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126605571 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d4d1310f-aa98-45b5-8f41-6380bd081f48 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6e2518bf-0663-4231-ba71-3950a4a30b78 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a7d25ab1-74be-4a78-9b07-c32c5cec8e40 Environmental → Air → Indoor EF 3.1 kg 2
4c84a2f8-2ca6-457d-9568-46053b8a5e7f Environmental → Air → Long-term EF 3.1 kg 0
3187717e-e77f-4fa7-8de6-65c6d31b6ec6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e5a71d0d-345b-4da6-ad35-90cec68b5ee6 Environmental → Air → Unknown EF 3.1 kg 2
1d089b4f-8826-4882-840a-64dafecdf553 Environmental → Ground → Agricultural EF 3.1 kg 2
243c3580-55bd-4573-aede-54ceb6565b4a Environmental → Ground → Non-agricultural EF 3.1 kg 2
6d5c5d25-d666-48b2-9282-285bbda1fc62 Environmental → Ground → Unknown EF 3.1 kg 2
96939073-390d-4709-98b4-e82142491624 Environmental → Water → Long-term EF 3.1 kg 0
92dcb63c-774c-4708-afbd-5207f12a6666 Environmental → Water → Ocean EF 3.1 kg 2
5bcf6b86-4943-43b6-8e48-94f26eece0cc Environmental → Water → Surface water EF 3.1 kg 2
9ddcd09b-87fc-41cc-944e-03b3a1912d63 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-204dc2b81cf43d54",
  "prefLabel": [
    {
      "@value": "Sodium 2-amino-5-methylbenzenesulfonate",
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  ],
  "altLabel": [
    {
      "@value": "Benzenesulfonic acid, 2-amino-5-methyl-, monosodium salt",
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    },
    {
      "@value": "Benzenesulfonic acid, 2-amino-5-methyl-, sodium salt (1:1)",
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    },
    {
      "@value": "Sodium 6-amino-m-toluenesulfonate",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "created_from": {
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    "seed_uuid": "1d089b4f-8826-4882-840a-64dafecdf553",
    "seed_source": "EF 3.1",
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  "classifications": {
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  ]
}

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