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N-[3-(dimethylamino)propyl]-2-methylacrylamide

fo-742c855d2a65e0cd

Identity

Type
Neutral molecule
CAS
5205-93-6
EC
226-002-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for N-[3-(dimethylamino)propyl]-2-methylacrylamide

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GDFCSMCGLZFNFY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H18N2O/c1-8(2)9(12)10-6-5-7-11(3)4/h1,5-7H2,2-4H3,(H,10,12)
IUPAC name chemrof:IUPAC_name N-[3-(dimethylamino)propyl]-2-methylacrylamide
Molecular formula chemrof:molecular_formula C9H18N2O
Molecular mass chemrof:molecular_mass 170.256
Monoisotopic mass chemrof:monoisotopic_mass 170.14191, 170.141913
SMILES string chemrof:smiles_string C=C(C)C(=O)NCCCN(C)C

Known URLs

11

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=5205-93-6 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=64080-86-0 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:189271 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.639 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.060.559 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.71217.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7040154 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/63OBQ7BZDS enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.960I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/78882 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27263632 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
12aa5cc9-5406-4cc8-bb40-2a0281733d28 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3e4aec68-8d9a-474c-879a-8049a909c2d6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
223a9ec5-8559-48ce-948e-fa99f773704b Environmental → Air → Indoor EF 3.1 kg 4
158ab234-e0a1-47a3-81fd-e5f4e8fd49cd Environmental → Air → Long-term EF 3.1 kg 0
ff0ee06b-55b2-4f98-b3ef-a553eec9ac2e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c868c2d1-2e8d-431e-8093-74b97f5a8d9a Environmental → Air → Unknown EF 3.1 kg 4
aa03f15a-37ad-42a1-aa56-9480fd08223c Environmental → Ground → Agricultural EF 3.1 kg 4
56665a6c-270f-4dda-8f31-2303c9794706 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d2819aed-1ee3-4498-b991-4536e2eab8fb Environmental → Ground → Unknown EF 3.1 kg 4
fb106ccd-3a97-4833-8ce7-b557b8d553e8 Environmental → Water → Long-term EF 3.1 kg 0
e3ca6b0a-7ccc-43db-a44e-b9f4cbe47c0f Environmental → Water → Ocean EF 3.1 kg 4
41df1cf4-1bf4-415b-9fdf-e150e1895409 Environmental → Water → Surface water EF 3.1 kg 4
dd303040-a6c5-4dc9-b58c-139020d8d360 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:78882;CAS:5205-93-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5205-93-6]"
      }
    }
  ],
  "created_from": {
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    "seed_uuid": "12aa5cc9-5406-4cc8-bb40-2a0281733d28",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "5205-93-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5205-93-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=5205-93-6"
        }
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "226-002-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=226-002-3"
      ],
      "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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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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