2-propanol, 1,1'-(hydroxyimino)bis-
fo-87d8e895724cd570
Identity
- Type
- Neutral molecule
- CAS
- 97173-34-7
- EC
- 417-040-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
2- 1,1′-(Hydroxyimino)bis[2-propanol]
- 2-Propanol, 1,1′-(hydroxyimino)bis-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | JYOCWMVETLTCNF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H15NO3/c1-5(8)3-7(10)4-6(2)9/h5-6,8-10H,3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-propanol, 1,1'-(hydroxyimino)bis- |
| Molecular formula chemrof:molecular_formula | C6H15NO3 |
| Molecular mass chemrof:molecular_mass | 149.19 |
| Monoisotopic mass chemrof:monoisotopic_mass | 149.105193 |
| SMILES string chemrof:smiles_string | CC(O)CN(O)CC(C)O |
Known URLs
5Where 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=97173-34-7 | enrich_references.consensus_cas_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID60869291 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.544.782F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/21989178 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82855033 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5dc951e2-8937-4831-9a9a-1e8503f43a50 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 816560ab-a653-4d8f-aa4a-5fef7b2e3e3d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d2530279-0ddc-4efd-b81e-c023f280096c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 5775217e-d749-4c76-b621-29f44101b086 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4388e786-6d95-406d-aa70-f7aac6489f05 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 513601cc-cfe4-409a-89cc-ce3d0c53bdce | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| df13cd1e-a248-4285-9c1a-9df61f7f2122 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 2445ebd4-857c-4492-8f27-33d663c0e6f9 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e4de641b-8dd5-434d-9b57-e0febd404f00 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| da3ade2b-9694-478f-8672-3ac01b0a7e65 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0975bc9a-68aa-4257-a388-2b4184ad08bf | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 6f1cf490-694a-47a8-bc6f-82b8ae1973ed | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 7366a1c4-9a2e-455d-83ae-ffef473a2f42 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-87d8e895724cd570",
"prefLabel": [
{
"@value": "2-propanol, 1,1'-(hydroxyimino)bis-",
"@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": "1,1′-(Hydroxyimino)bis[2-propanol]",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97173-34-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97173-34-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propanol, 1,1′-(hydroxyimino)bis-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:97173-34-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97173-34-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H15NO3"
],
"attested_by": {
"C6H15NO3": [
"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:21989178"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(O)CN(O)CC(C)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"JYOCWMVETLTCNF-UHFFFAOYSA-N"
],
"attested_by": {
"JYOCWMVETLTCNF-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:21989178"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(O)CN(O)CC(C)O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(O)CN(O)CC(C)O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-propanol, 1,1'-(hydroxyimino)bis-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(O)CN(O)CC(C)O"
]
}
],
"attested_by": {
"CC(O)CN(O)CC(C)O": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H15NO3/c1-5(8)3-7(10)4-6(2)9/h5-6,8-10H,3-4H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-propanol, 1,1'-(hydroxyimino)bis-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(O)CN(O)CC(C)O"
]
}
],
"attested_by": {
"InChI=1S/C6H15NO3/c1-5(8)3-7(10)4-6(2)9/h5-6,8-10H,3-4H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-propanol, 1,1'-(hydroxyimino)bis-"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-propanol, 1,1'-(hydroxyimino)bis-"
]
},
"attested_by": {
"2-propanol, 1,1'-(hydroxyimino)bis-": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
149.19
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(CN(CC(C)O)O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(O)CN(O)CC(C)O"
]
}
],
"attested_by": {
"149.19": [
"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": [
149.105193
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(CN(CC(C)O)O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(O)CN(O)CC(C)O"
]
}
],
"attested_by": {
"149.105193": [
"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=J1.544.782F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:21989178;CAS:97173-34-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97173-34-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=97173-34-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"97173-34-7"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID60869291",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:21989178;CAS:97173-34-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97173-34-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/21989178",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:21989178;CAS:97173-34-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[97173-34-7]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82855033",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:21989178;CAS:97173-34-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97173-34-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0975bc9a-68aa-4257-a388-2b4184ad08bf",
"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": [
"97173-34-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=97173-34-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=97173-34-7"
}
],
"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": [
"417-040-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=417-040-3"
],
"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