Consensus flow list

Identity

Type
Neutral molecule
CAS
19335-11-6
EC
242-971-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Indazol-5-ylamine

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XBTOSRUBOXQWBO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
IUPAC name chemrof:IUPAC_name Indazol-5-ylamine
Molecular formula chemrof:molecular_formula C7H7N3
Molecular mass chemrof:molecular_mass 133.154
Monoisotopic mass chemrof:monoisotopic_mass 133.063997
SMILES string chemrof:smiles_string Nc1ccc2[nH]ncc2c1

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=19335-11-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.039.049 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2066480 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=44676 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL17551 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A5B06TDT72 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.998G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/88012 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020322 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72482750 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6b3c301c-e6b8-40ed-9228-83772e455d19 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
75c07c6c-804a-44e5-b3f9-ea296dbce028 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
95c3d8e0-63e5-4ccb-b3b7-cbf4ab142a32 Environmental → Air → Indoor EF 3.1 kg 2
86b6a7ec-d943-420b-97b4-afbc618bfbb4 Environmental → Air → Long-term EF 3.1 kg 0
42d9f098-a4b7-4389-a93c-8472902c1003 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b535221f-bb70-4f0b-be04-14d92211a80f Environmental → Air → Unknown EF 3.1 kg 2
fa7ee708-4dda-4893-ae4a-7c3649137909 Environmental → Ground → Agricultural EF 3.1 kg 2
03bc85c0-3814-4ca6-a581-74979e176eed Environmental → Ground → Non-agricultural EF 3.1 kg 2
926d36d3-c1b5-444c-b6c0-c254010d82e9 Environmental → Ground → Unknown EF 3.1 kg 2
a9e7d1bc-6a25-4653-8271-acf3d73938d7 Environmental → Water → Long-term EF 3.1 kg 0
81ff811f-430f-4699-b8c0-203713675596 Environmental → Water → Ocean EF 3.1 kg 2
94c3912b-73f0-42f7-b1bd-5151d0518281 Environmental → Water → Surface water EF 3.1 kg 2
c31ca42c-168f-461a-94e0-837221c4bef3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-32c0c45bcfe6e866",
  "prefLabel": [
    {
      "@value": "Indazol-5-ylamine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1H-Indazol-5-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H-Indazol-5-ylamine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H-Indazole, 5-amino-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Amino-1H-indazole",
      "@language": "en",
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    {
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    },
    {
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