Consensus flow list

1-methylpiperazine

fo-3c19798fa113a0f9

Identity

Type
NeutralMolecule
CAS
109-01-3
EC
203-639-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-methylpiperazine

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PVOAHINGSUIXLS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3
IUPAC name chemrof:IUPAC_name 1-methylpiperazine
Molecular formula chemrof:molecular_formula C5H12N2
Molecular mass chemrof:molecular_mass 100.165
Monoisotopic mass chemrof:monoisotopic_mass 100.100048, 100.10005
SMILES string chemrof:smiles_string CN1CCNCC1

Known URLs

15

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=109-01-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:166561 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.309 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.48024.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021898 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30195 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30675 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1011 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B92I95EL9Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243942 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.011A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=87199 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53167 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q3825112 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/N-Methylpiperazine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
51761f58-4145-4eb5-85e0-5c551937dafa Environmental → Air → Aircraft cruise height EF 3.1 kg 4
289c8cdf-ea88-4bd2-bba4-c80352a9225f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
884b9d3a-791c-43e2-97a4-673518917db6 Environmental → Air → Indoor EF 3.1 kg 4
d49dc2cb-fa75-4a07-92fe-9b5f5ebb13a3 Environmental → Air → Long-term EF 3.1 kg 0
19c38d87-2e8d-45a9-ac67-fbe13773c310 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
cabdd5e7-dd89-49f1-b42d-8866b7067fd4 Environmental → Air → Unknown EF 3.1 kg 4
e0b90d75-8909-4377-a68c-65122e0f929b Environmental → Ground → Agricultural EF 3.1 kg 4
e7628722-93b0-4e1c-9ffc-2f36fa6629b8 Environmental → Ground → Non-agricultural EF 3.1 kg 4
829dab8a-2043-44d1-8dbf-bad20fb68177 Environmental → Ground → Unknown EF 3.1 kg 4
de4780d7-1a0d-4482-b6ba-102db4e2da45 Environmental → Water → Long-term EF 3.1 kg 0
eae28111-f9e6-4f4e-9fb2-c2073e77bb27 Environmental → Water → Ocean EF 3.1 kg 4
ea67be49-a3b3-47f5-829e-a6f70e81e0e4 Environmental → Water → Surface water EF 3.1 kg 4
93ce82ce-c5fd-4203-9824-5ba7a21fde34 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "203-639-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=203-639-5"
      ],
      "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/NeutralMolecule"
  ]
}

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