N,N''-(isobutylidene)diurea
fo-6d2f9c280b011bb7
Identity
- Type
- Neutral molecule
- CAS
- 6104-30-9
- EC
- 228-055-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 64 across every transformer
Structure
Alternative labels
13- 1,1-Diureidoisobutane
- 1,1′-Isobutylidenebisurea
- [1-(Carbamoylamino)-2-methylpropyl]urea
- Diureidoisobutane
- IBDU
- Isobutylenediurea
- Isobutylidene diurea
- Isobutylidenebisurea
- Isobutylidenediurea
- Isodur
- N,N′′-(2-Methylpropylidene)bis[urea]
- Urea, 1,1′-isobutylidenedi-
- Urea, N,N′′-(2-methylpropylidene)bis-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | QFHMNFAUXJAINK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H14N4O2/c1-3(2)4(9-5(7)11)10-6(8)12/h3-4H,1-2H3,(H3,7,9,11)(H3,8,10,12) |
| IUPAC name chemrof:IUPAC_name | N,N''-(isobutylidene)diurea, 1,1-Diureidoisobutane |
| Molecular formula chemrof:molecular_formula | C6H14N4O2 |
| Molecular mass chemrof:molecular_mass | 174.204 |
| Monoisotopic mass chemrof:monoisotopic_mass | 174.111676 |
| SMILES string chemrof:smiles_string | CC(C)C(NC(N)=O)NC(N)=O |
Known URLs
10Where 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=6104-30-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.025.505 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1279 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8027614 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/20K1225668 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0302266 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.082A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/22478 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q17082419 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Isobutylidenediurea | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d07c9682-e755-4220-8ce5-94acdd32d69f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 67555aa9-25c6-40a3-83bb-c04f831c0ddd | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d681e5ce-b86e-470a-bc52-966993549de3 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 85d53496-bbf0-4ebc-86fb-f5f05f335b61 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c8b7fc00-c6f4-4793-a051-7a358dff8c49 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 56722e54-48c0-4e29-bb71-1baa5b95a4a2 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| d98d7605-75f2-4189-9dd7-377f3094cb95 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 9a6c509e-157d-43d9-ad47-e8db9ef1d63a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 5b2be959-7fff-4e20-905c-45ccc7496e9d | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 511459f1-3388-4bed-836a-a2d804950f2d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b0a83d62-b5df-4636-a288-10a2a28cda7f | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| a242e6fe-5c54-4e35-8720-66ff9117cf25 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 9b4c793a-1b55-4127-8ac4-85f4162cf342 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (64 changes)
Full record
Flow object JSON
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"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=6104-30-9"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"228-055-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=228-055-8"
],
"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"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
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