N-(hydroxymethyl)-2-methylacrylamide
fo-d2b2b051af1e2737
Identity
- Type
- Neutral molecule
- CAS
- 923-02-4
- EC
- 213-086-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
7- (Hydroxymethyl)methacrylamide
- 2-Propenamide, N-(hydroxymethyl)-2-methyl-
- Acrylamide, N-(hydroxymethyl)-2-methyl-
- Methylolmethacrylamide
- N-(Hydroxymethyl)-2-methyl-2-propenamide
- N-(Hydroxymethyl)methacrylamide
- N-Methylolmethacrylamide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DNTMQTKDNSEIFO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H9NO2/c1-4(2)5(8)6-3-7/h7H,1,3H2,2H3,(H,6,8) |
| IUPAC name chemrof:IUPAC_name | N-(hydroxymethyl)-2-methylacrylamide |
| Molecular formula chemrof:molecular_formula | C5H9NO2 |
| Molecular mass chemrof:molecular_mass | 115.132 |
| Monoisotopic mass chemrof:monoisotopic_mass | 115.063329 |
| SMILES string chemrof:smiles_string | C=C(C)C(=O)NCO |
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=26587-87-1 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=923-02-4 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.011.897 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2027335 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2691 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8BO2025ITR | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.892F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/70208 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27270148 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 06a50515-4a01-4164-a72f-fe3c035c6833 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 8589136f-9511-4de4-8d65-b727e16d48aa | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 6565346c-87d9-452a-9ca3-4b58cda11f52 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 7b5f1903-1c67-45e4-9458-4ddbda0cba7d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 65b248c9-b8c8-4405-880b-733a43341916 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| d29966f6-45a1-4788-acb9-3a7a9be157cd | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| ae52e36d-6322-47e7-8cd7-8c0107f4c87b | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| edc11436-6b43-4ffe-9895-9316a31fec01 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 26ca83c5-38b9-4d0d-a5fd-58f48d11a0a0 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| be00c6bd-4222-47c1-aebf-fc76f31a14e9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c855c8a7-7d98-443b-bf45-9ad617eb7f05 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4d3656b7-41a8-4fae-864a-2f24f58be872 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fe653bb6-1e11-48bf-8420-a6275ee2df78 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-d2b2b051af1e2737",
"prefLabel": [
{
"@value": "N-(hydroxymethyl)-2-methylacrylamide",
"@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": "(Hydroxymethyl)methacrylamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:923-02-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=923-02-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propenamide, N-(hydroxymethyl)-2-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:923-02-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=923-02-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acrylamide, N-(hydroxymethyl)-2-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:923-02-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=923-02-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methylolmethacrylamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:923-02-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=923-02-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(Hydroxymethyl)-2-methyl-2-propenamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:923-02-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=923-02-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(Hydroxymethyl)methacrylamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:923-02-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=923-02-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Methylolmethacrylamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:923-02-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=923-02-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C5H9NO2"
],
"attested_by": {
"C5H9NO2": [
"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:70208"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)NCO"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DNTMQTKDNSEIFO-UHFFFAOYSA-N"
],
"attested_by": {
"DNTMQTKDNSEIFO-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:70208"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)NCO"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=C(C)C(=O)NCO"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-(hydroxymethyl)-2-methylacrylamide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)NCO"
]
}
],
"attested_by": {
"C=C(C)C(=O)NCO": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C5H9NO2/c1-4(2)5(8)6-3-7/h7H,1,3H2,2H3,(H,6,8)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-(hydroxymethyl)-2-methylacrylamide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)NCO"
]
}
],
"attested_by": {
"InChI=1S/C5H9NO2/c1-4(2)5(8)6-3-7/h7H,1,3H2,2H3,(H,6,8)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N-(hydroxymethyl)-2-methylacrylamide"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-(hydroxymethyl)-2-methylacrylamide"
]
},
"attested_by": {
"N-(hydroxymethyl)-2-methylacrylamide": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
115.132
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=C)C(=O)NCO"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)NCO"
]
}
],
"attested_by": {
"115.132": [
"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": [
115.063329
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=C)C(=O)NCO"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C=C(C)C(=O)NCO"
]
}
],
"attested_by": {
"115.063329": [
"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=J39.892F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70208;CAS:923-02-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[923-02-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.011.897",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70208;CAS:923-02-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[923-02-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=26587-87-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70208;CAS:923-02-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[923-02-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=923-02-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"923-02-4"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID2027335",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70208;CAS:923-02-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[923-02-4]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2691",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70208;CAS:923-02-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[923-02-4]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8BO2025ITR",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70208;CAS:923-02-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[923-02-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/70208",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70208;CAS:923-02-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[923-02-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27270148",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:70208;CAS:923-02-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[923-02-4]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "06a50515-4a01-4164-a72f-fe3c035c6833",
"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": [
"923-02-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=923-02-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=923-02-4"
}
],
"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": [
"213-086-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=213-086-1"
],
"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