Consensus flow list

Identity

Type
Neutral molecule
CAS
36177-92-1
EC
252-899-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-butyl-2,2,6,6-tetramethylpiperidin-4-amine

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FDAKZQLBIFPGSV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H28N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h11,14-15H,6-10H2,1-5H3
IUPAC name chemrof:IUPAC_name N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
Molecular formula chemrof:molecular_formula C13H28N2
Molecular mass chemrof:molecular_mass 212.381
Monoisotopic mass chemrof:monoisotopic_mass 212.225249
SMILES string chemrof:smiles_string CCCCNC1CC(C)(C)NC(C)(C)C1

Known URLs

8

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=36177-92-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.048.076 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7044926 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188832 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F0H0109ZFK enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J319.577E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/118285 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27277480 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
22980d17-faad-49e2-8adf-351e924feb48 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5216506e-6068-4ab5-ba6e-3811dc60fdae Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2db7fa9c-a4b4-44c9-b716-7764fdb17e0a Environmental → Air → Indoor EF 3.1 kg 2
554d6d75-bedc-42d0-b563-0ff85f246480 Environmental → Air → Long-term EF 3.1 kg 0
b264ba12-c1f4-4c7a-96ff-2243a0b7a8ef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6baa4fe1-248d-41fa-9fa2-00d29a0cb12f Environmental → Air → Unknown EF 3.1 kg 2
b014ba0d-9b08-4697-b9b7-03fd74293ce2 Environmental → Ground → Agricultural EF 3.1 kg 2
63ab3edf-99c5-4d24-af02-52aaab94cba2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2df395d1-d9f2-4431-bb78-35c77d80c62c Environmental → Ground → Unknown EF 3.1 kg 2
adb32714-ef8a-40ab-983e-011cc832b6d3 Environmental → Water → Long-term EF 3.1 kg 0
cd1111d5-b87c-440b-9e80-9742ba33ae42 Environmental → Water → Ocean EF 3.1 kg 2
b9ca9ea4-d05c-4b5f-9595-1a9e18ac909b Environmental → Water → Surface water EF 3.1 kg 2
d50ce53f-727e-41c0-8791-7942e303b497 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-663766fee7977675",
  "prefLabel": [
    {
      "@value": "N-butyl-2,2,6,6-tetramethylpiperidin-4-amine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2,6,6-Tetramethyl-4-(butylamino)piperidine",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,6,6-Tetramethyl-N-butyl-4-piperidinamine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(Butylamino)-2,2,6,6-tetramethylpiperidine",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "4-N-Butylamino-2,2,6,6-tetramethylpiperidine",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Piperidinamine, N-butyl-2,2,6,6-tetramethyl-",
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    },
    {
      "@value": "Butyl-(2,2,6,6-tetramethylpiperidin-4-yl)-amine",
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      }
    },
    {
      "@value": "N-(2,2,6,6-Tetramethyl-4-piperidinyl)butylamine",
      "@language": "en",
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      }
    },
    {
      "@value": "N-(2,2,6,6-Tetramethyl-4-piperidyl)butanamine",
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    },
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}

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