1-methylurea

MeSH ID: D008782
Methyl urea
Methylurea
Monomethylurea
N-Methylurea
Urea, methyl-
Urea, N-methyl-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	XGEGHDBEHXKFPX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
IUPAC name chemrof:IUPAC_name	1-methylurea
Molecular formula chemrof:molecular_formula	C2H6N2O
Molecular mass chemrof:molecular_mass	74.083
Monoisotopic mass chemrof:monoisotopic_mass	74.04801, 74.048013
SMILES string chemrof:smiles_string	CNC(N)=O

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=598-50-5	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=608090-15-9	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44383	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.033	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5060510	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VZ89YBW3P8	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0254670	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.718I	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C16363	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C16363	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67620	enrich_references.pubchem_identifier_url
pdb-ccd	pdb-ccd:NMU	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11719	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=003653	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/24642102	enrich_references.chebi_xrefs
reaxys	reaxys:878189	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q5476523	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
0bc82d2e-23f9-468a-9bd6-9b42378f324c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
76c8f2fd-fdac-43c6-8d64-f36eb3d5f52c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
13e64761-4fa2-453d-8b7c-6fc9c5a25788	Environmental → Air → Indoor	EF 3.1	kg	2
145eb871-2c27-4fb5-b612-0aaf3a4011b4	Environmental → Air → Long-term	EF 3.1	kg	0
a598e416-e5d4-4fa7-a6f9-ead5aa1e883d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
edddaf28-cc83-445d-a7b6-c3dbf3d65694	Environmental → Air → Unknown	EF 3.1	kg	2
bb2ee9e6-81f1-42e1-b14c-846ffec432c1	Environmental → Ground → Agricultural	EF 3.1	kg	2
6d61e9ea-50d2-4f7a-9178-d95f21904845	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
dc8844d9-d7b5-4aba-aed3-23ddcff59753	Environmental → Ground → Unknown	EF 3.1	kg	2
d40a0791-952f-464d-bcb7-dcd9503f9d9f	Environmental → Water → Long-term	EF 3.1	kg	0
6cbcd748-0f69-4980-b3be-a0ce451c9edc	Environmental → Water → Ocean	EF 3.1	kg	2
755b75a3-476b-4171-82c0-417cfd384326	Environmental → Water → Surface water	EF 3.1	kg	2
946229cc-38e8-4f95-b672-237e9928f44e	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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    },
    {
      "@id": "pdb-ccd:NMU",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_44383"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "reaxys:878189",
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0bc82d2e-23f9-468a-9bd6-9b42378f324c",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "598-50-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=598-50-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=598-50-5"
        }
      ],
      "provenance": {
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      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "209-935-0"
      ],
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      ],
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A member of the class of ureas that is urea substituted by a methyl group at one of the nitrogen atoms.",
      "@language": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
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  ],
  "@type": [
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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

1-methylurea

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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