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Carbamic Acid, N-butyl-, 2-propyn-1-yl Ester

fo-d61be927259a56d4

Identity

Type
Neutral molecule
CAS
76114-73-3
EC
616-291-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Carbamic Acid, N-butyl-, 2-propyn-1-yl Ester

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JTDBXHIIVZZXDH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H13NO2/c1-3-5-6-9-8(10)11-7-4-2/h2H,3,5-7H2,1H3,(H,9,10)
IUPAC name chemrof:IUPAC_name Carbamic Acid, N-butyl-, 2-propyn-1-yl Ester
Molecular formula chemrof:molecular_formula C8H13NO2
Molecular mass chemrof:molecular_mass 155.197
Monoisotopic mass chemrof:monoisotopic_mass 155.094629
SMILES string chemrof:smiles_string C#CCOC(=O)NCCCC

Known URLs

6

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=76114-73-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.129.765 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2072835 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.014.403C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10877354 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72502286 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eade597b-f1bb-48cf-bd3c-5dfd05d0f8bf Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5c8368d4-e158-4da8-bf42-b6628b51761a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
167ebaff-dc92-44ae-b5e9-655ec0964dda Environmental → Air → Indoor EF 3.1 kg 2
201105a0-add9-4e92-af81-6e602c07d308 Environmental → Air → Long-term EF 3.1 kg 0
5da4798c-8e2c-44ee-8423-b8dd5de75feb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2d20ef86-e03f-48a7-b017-6540e8b4365b Environmental → Air → Unknown EF 3.1 kg 2
52a69e37-0489-48a3-b77e-d64e698cb928 Environmental → Ground → Agricultural EF 3.1 kg 2
0b544bfb-881a-481b-8c1e-3f5a51daf22e Environmental → Ground → Non-agricultural EF 3.1 kg 2
f65a26ee-2459-4e6b-8200-843d7021be16 Environmental → Ground → Unknown EF 3.1 kg 2
5484be7f-1587-4e4b-a65c-3c167cc9dbf6 Environmental → Water → Long-term EF 3.1 kg 0
15f6ad39-71c2-45a7-bd53-d2782e57ee34 Environmental → Water → Ocean EF 3.1 kg 2
06dc62af-50a5-4491-878c-78db6886a2a3 Environmental → Water → Surface water EF 3.1 kg 2
dc0595f9-11b8-4e82-8641-10dda4424f2a 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-d61be927259a56d4",
  "prefLabel": [
    {
      "@value": "Carbamic Acid, N-butyl-, 2-propyn-1-yl Ester",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Propyn-1-yl N-butylcarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propynyl butylcarbamate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, butyl-, 2-propynyl ester",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Butyl propargyl carbamate",
      "@language": "en",
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    },
    {
      "@value": "Propargyl butylcarbamate",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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