Consensus flow list

Identity

Type
Neutral molecule
CAS
324763-51-1
EC
454-190-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Propanamide, 3-amino-2,2-dimethyl-

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HKQZJXVIXAPOPZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12N2O/c1-5(2,3-6)4(7)8/h3,6H2,1-2H3,(H2,7,8)
IUPAC name chemrof:IUPAC_name Propanamide, 3-amino-2,2-dimethyl-
Molecular formula chemrof:molecular_formula C5H12N2O
Molecular mass chemrof:molecular_mass 116.164
Monoisotopic mass chemrof:monoisotopic_mass 116.094963
SMILES string chemrof:smiles_string CC(C)(CN)C(N)=O

Known URLs

7

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=324763-51-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.104.408 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.117.560 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30457149 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.214.490A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11159315 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72436348 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0cdbf72c-9188-41e2-b11a-e96f2f016762 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f2a45980-bb81-4d59-9405-26126c008642 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
633f2136-51f1-47be-ade8-80a2c89c2d6b Environmental → Air → Indoor EF 3.1 kg 2
f27f0254-6724-497f-aeb2-04e5d5a52197 Environmental → Air → Long-term EF 3.1 kg 0
72dc8bcb-0b83-46b6-890c-7d79f15ab7b4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c7764f36-1d61-4ba3-82b8-3d96081f45d6 Environmental → Air → Unknown EF 3.1 kg 2
576d08cf-2e45-45ff-a2e3-aa158caedf01 Environmental → Ground → Agricultural EF 3.1 kg 2
b1b7ea88-5779-46b5-90b1-84b6c1c3bc1b Environmental → Ground → Non-agricultural EF 3.1 kg 2
c4265055-c846-4a92-8390-7e2aa29c2891 Environmental → Ground → Unknown EF 3.1 kg 2
3e9c16df-5f65-4b69-940e-acdf16fb76ba Environmental → Water → Long-term EF 3.1 kg 0
1dcc4153-ad59-4ad2-a61d-0616a0a3f27d Environmental → Water → Ocean EF 3.1 kg 2
6bef71cf-0b70-4307-b688-8d3d1321d913 Environmental → Water → Surface water EF 3.1 kg 2
db9caf99-de83-4067-9ece-ffc76f32951e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7fa8f89453c89106",
  "prefLabel": [
    {
      "@value": "Propanamide, 3-amino-2,2-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-Amino-2,2-dimethylpropanamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=324763-51-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Amino-2,2-dimethylpropionamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=324763-51-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C5H12N2O"
      ],
      "attested_by": {
        "C5H12N2O": [
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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    },
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      "provenance": [
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        },
        {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      "provenance": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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      ],
      "provenance": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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          ]
        }
      ],
      "attested_by": {
        "116.164": [
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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        },
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "116.094963": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.214.490A",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[324763-51-1]"
      }
    },
    {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0cdbf72c-9188-41e2-b11a-e96f2f016762",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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        "324763-51-1"
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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