Consensus flow list

Identity

Type
ChemicalSalt
CAS
51410-72-1
EC
257-182-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium Chloride

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UZNHKBFIBYXPDV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H
IUPAC name chemrof:IUPAC_name Trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium Chloride
Molecular formula chemrof:molecular_formula C10H21ClN2O
Molecular mass chemrof:molecular_mass 220.744
Monoisotopic mass chemrof:monoisotopic_mass 220.134241
SMILES string chemrof:smiles_string C=C(C)C(=O)NCCC[N+](C)(C)C.[Cl-]

Known URLs

9

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=51410-72-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=68039-13-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.966 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2044682 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185603 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E4K1LR90ZN enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/106428 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/164186298 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27276860 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e56c1e6d-d2d9-4d5a-abff-b91cf4ce679f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3dca30bb-723c-479a-b395-02bfe14535f3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e079cd89-bc30-48b8-9a07-3d456ccf726b Environmental → Air → Indoor EF 3.1 kg 4
f8a4caaf-bbad-4696-a950-0374bf7d1c47 Environmental → Air → Long-term EF 3.1 kg 0
a5a8458b-611d-4f63-9b19-b07ab119cee7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
74e109a3-31bb-40a7-9f45-a7c87e313fed Environmental → Air → Unknown EF 3.1 kg 4
7da673e5-d72c-4419-8226-8c3231f76545 Environmental → Ground → Agricultural EF 3.1 kg 4
0125547c-e7b5-4902-8390-ef7c307fe81c Environmental → Ground → Non-agricultural EF 3.1 kg 4
87465005-7a3e-4373-b01b-c7ebf1bc9467 Environmental → Ground → Unknown EF 3.1 kg 4
dacc2b9f-91c7-489a-9622-5adb927f48db Environmental → Water → Long-term EF 3.1 kg 0
963ea2eb-b2b7-4a0c-8e38-6dc7d2775219 Environmental → Water → Ocean EF 3.1 kg 4
376ea886-c841-44d2-9238-82314f4ec7b1 Environmental → Water → Surface water EF 3.1 kg 4
d9c91930-3814-41b1-a29a-f2a297f0b0b2 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:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "257-182-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=257-182-1"
      ],
      "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/ChemicalSalt"
  ]
}

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