1-(2-hydroxyethyl)-2-imidazolidinone
fo-43b813245703e473
Identity
- Type
- Neutral molecule
- CAS
- 3699-54-5
- EC
- 223-032-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
9- 1-(Hydroxyethyl)ethyleneurea
- 2-Imidazolidinone, 1-(2-hydroxyethyl)-
- 3-(2-Hydroxyethyl)-2-imidazolidinone
- N-(2-Hydroxyethyl)ethyleneurea
- N-(2-Hydroxyethyl)imidazolidin-2-one
- N-(2-Hydroxyethyl)imidazolidone
- N-(β-Hydroxyethyl)-N,N′-ethylene urea
- Sartomer SR 511
- Ucar RD 65-2
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | HBAIZGPCSAAFSU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9) |
| IUPAC name chemrof:IUPAC_name | 1-(2-hydroxyethyl)-2-imidazolidinone |
| Molecular formula chemrof:molecular_formula | C5H10N2O2 |
| Molecular mass chemrof:molecular_mass | 130.147 |
| Monoisotopic mass chemrof:monoisotopic_mass | 130.074228 |
| SMILES string chemrof:smiles_string | O=C1NCCN1CCO |
Known URLs
9Where 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=3699-54-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.020.939 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0029260 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5775 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188894 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N0K8F6P8IF | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.615A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/77290 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27284354 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7f606ed4-b036-4e73-9274-27c8ae4c535b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| aca148b7-b9ba-476d-aa99-865b0fad3817 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| cc38c886-c406-4b82-bc3c-909c2c434fb8 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 2a9eec6d-b3fe-4691-a153-318ed57adb81 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f1438c0e-323f-4543-a511-c96b736fcaf5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 7f52924c-8375-4958-8631-6ef27e483fcd | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 009d42a6-ba05-4388-8996-0091d17bd72c | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 1d86e37f-6745-48b8-993b-2e1ab7deae5d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 6847f43f-b5bd-4477-bb67-89d2153fe2c9 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 7451fa4c-1f2a-4056-863d-6dadf21b5281 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 6257e0f4-5676-4ae4-baa1-cd38ca876b3d | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f39dd0fd-f850-4140-bc00-ada0f551746c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| bcb386b2-6068-4ec9-8e0d-0112822d533a | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-43b813245703e473",
"prefLabel": [
{
"@value": "1-(2-hydroxyethyl)-2-imidazolidinone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1-(Hydroxyethyl)ethyleneurea",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3699-54-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Imidazolidinone, 1-(2-hydroxyethyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3699-54-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(2-Hydroxyethyl)-2-imidazolidinone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3699-54-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(2-Hydroxyethyl)ethyleneurea",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3699-54-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(2-Hydroxyethyl)imidazolidin-2-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3699-54-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(2-Hydroxyethyl)imidazolidone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3699-54-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(β-Hydroxyethyl)-N,N′-ethylene urea",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3699-54-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sartomer SR 511",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3699-54-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ucar RD 65-2",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3699-54-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C5H10N2O2"
],
"attested_by": {
"C5H10N2O2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77290"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1NCCN1CCO"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HBAIZGPCSAAFSU-UHFFFAOYSA-N"
],
"attested_by": {
"HBAIZGPCSAAFSU-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77290"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1NCCN1CCO"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C1NCCN1CCO"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-(2-hydroxyethyl)-2-imidazolidinone"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1NCCN1CCO"
]
}
],
"attested_by": {
"O=C1NCCN1CCO": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-(2-hydroxyethyl)-2-imidazolidinone"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1NCCN1CCO"
]
}
],
"attested_by": {
"InChI=1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1-(2-hydroxyethyl)-2-imidazolidinone"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1-(2-hydroxyethyl)-2-imidazolidinone"
]
},
"attested_by": {
"1-(2-hydroxyethyl)-2-imidazolidinone": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
130.147
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CN(C(=O)N1)CCO"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1NCCN1CCO"
]
}
],
"attested_by": {
"130.147": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"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": [
130.074228
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CN(C(=O)N1)CCO"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C1NCCN1CCO"
]
}
],
"attested_by": {
"130.074228": [
"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=J205.615A",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77290;CAS:3699-54-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3699-54-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.020.939",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77290;CAS:3699-54-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3699-54-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3699-54-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3699-54-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0029260",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77290;CAS:3699-54-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3699-54-5]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5775",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77290;CAS:3699-54-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3699-54-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N0K8F6P8IF",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77290;CAS:3699-54-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3699-54-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/77290",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77290;CAS:3699-54-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3699-54-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188894",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77290;CAS:3699-54-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3699-54-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27284354",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77290;CAS:3699-54-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3699-54-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "009d42a6-ba05-4388-8996-0091d17bd72c",
"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": [
"3699-54-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3699-54-5"
}
],
"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": [
"223-032-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=223-032-9"
],
"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