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Methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate

fo-50f6359d703e4fcb

Identity

Type
Neutral molecule
CAS
1174627-68-9
EC
700-204-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WEFZXWJJPHGTTN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H17NO3/c1-7(9(12)13-4)5-6-8(11)10(2)3/h7H,5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name Methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate
Molecular formula chemrof:molecular_formula C9H17NO3
Molecular mass chemrof:molecular_mass 187.239
Monoisotopic mass chemrof:monoisotopic_mass 187.120843
SMILES string chemrof:smiles_string COC(=O)C(C)CCC(=O)N(C)C

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=1174627-68-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.148.956 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40889275 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.266.143B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/58332853 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82869114 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
226a20f1-ddd2-4e68-8134-aefe8514200b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
59107970-c1c4-4d7f-8af2-c7dc7f367482 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
03927835-ca52-4254-afb8-10264c5f5e02 Environmental → Air → Indoor EF 3.1 kg 4
b7d87871-4a30-4b0a-afa5-f59bdefba829 Environmental → Air → Long-term EF 3.1 kg 0
5ea47a98-5710-4d77-b57c-80f1b6cfdcc8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6a81c1b9-c4e7-417b-a115-0aebb2699691 Environmental → Air → Unknown EF 3.1 kg 4
7780f94b-6a10-46b3-be0e-7424bdf08c84 Environmental → Ground → Agricultural EF 3.1 kg 4
2221f9aa-1a11-49d0-bbc2-c09e10d76f5b Environmental → Ground → Non-agricultural EF 3.1 kg 4
7b83d72f-b576-462a-af1f-77bb5a562464 Environmental → Ground → Unknown EF 3.1 kg 4
a6ed5b91-797d-4271-b5a4-9700a3db9039 Environmental → Water → Long-term EF 3.1 kg 0
545eb5c7-bf0c-49a8-8839-1b183f8f5a59 Environmental → Water → Ocean EF 3.1 kg 4
af5fbd3a-bc5d-4a27-b07f-5862ba130127 Environmental → Water → Surface water EF 3.1 kg 4
8d2c5577-8229-4709-9ef1-005843293995 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 
{
  "flow_object_id": "fo-50f6359d703e4fcb",
  "prefLabel": [
    {
      "@value": "Methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate",
      "@language": "en",
      "@lang": "en",
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    {
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    },
    {
      "@value": "Pentanoic acid, 5-(dimethylamino)-2-methyl-5-oxo-, methyl ester",
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    {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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