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3-(isotridecyloxy)propan-1-amine

fo-f88302e50e34b202

Identity

Type
Neutral molecule
CAS
50977-10-1
EC
256-881-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3-(isotridecyloxy)propan-1-amine

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CUFBDUDYFHCIOH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H35NO/c1-16(2)12-9-7-5-3-4-6-8-10-14-18-15-11-13-17/h16H,3-15,17H2,1-2H3
IUPAC name chemrof:IUPAC_name 3-(isotridecyloxy)propan-1-amine
Molecular formula chemrof:molecular_formula C16H35NO
Molecular mass chemrof:molecular_mass 257.462
Monoisotopic mass chemrof:monoisotopic_mass 257.271865
SMILES string chemrof:smiles_string CC(C)CCCCCCCCCCOCCCN

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=50977-10-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.693 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80873476 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/170945 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81978949 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
77671fff-1696-410f-b0f6-7dfa7905df82 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
20709bc2-ba5c-46f6-96ee-820084d493f1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f5229286-69cf-4419-b831-dc5ab046bfc3 Environmental → Air → Indoor EF 3.1 kg 2
c8a3fd3c-3df2-49bb-9d8f-fad587c64754 Environmental → Air → Long-term EF 3.1 kg 0
3ac1d43f-a15b-407e-ade3-e30a7b0d5c67 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d43fdeed-e452-42c3-9056-2047042b82ff Environmental → Air → Unknown EF 3.1 kg 2
db2d9bd0-e732-44f1-a362-60681e4b184f Environmental → Ground → Agricultural EF 3.1 kg 2
c2a1dffd-79a0-40cd-a3a0-457381b52f8c Environmental → Ground → Non-agricultural EF 3.1 kg 2
134e4af0-711e-4e73-83dd-da194b39f3e8 Environmental → Ground → Unknown EF 3.1 kg 2
18e9944d-cb14-4e4f-8212-396492480525 Environmental → Water → Long-term EF 3.1 kg 0
604a5d40-2258-4939-9977-df690934662b Environmental → Water → Ocean EF 3.1 kg 2
c0500de0-49b3-4c04-a0a0-013c90ce6a0e Environmental → Water → Surface water EF 3.1 kg 2
58301dd0-6158-489f-99d2-fe6665a64c6c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f88302e50e34b202",
  "prefLabel": [
    {
      "@value": "3-(isotridecyloxy)propan-1-amine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Propanamine, 3-(isotridecyloxy)-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Isotridecyloxy)-1-propanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Isotridecyloxy)propylamine",
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      "provenance": {
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    },
    {
      "@value": "Tomamine PA 17",
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      "attested_by": {
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      "attested_by": {
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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  "created_from": {
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    "seed_uuid": "134e4af0-711e-4e73-83dd-da194b39f3e8",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "types": [
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      "provenance": {
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  },
  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
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  "@type": [
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  ]
}

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