2-(2,4-diaminophenoxy)ethanol Dihydrochloride
fo-e97ec83da0aca067
Identity
- Type
- Molecular complex
- CAS
- 66422-95-5
- EC
- 266-357-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
5- 2,4-Diamino-1-(2-hydroxyethoxy)benzene dihydrochloride
- 2,4-Diaminophenoxyethanol dihydrochloride
- 4-2-Hydroxyethoxy-1,3-Benzenediamine dihydrochloride
- Ethanol, 2-(2,4-diaminophenoxy)-, dihydrochloride
- Ethanol, 2-(2,4-diaminophenoxy)-, hydrochloride (1:2)
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | VXYWXJXCQSDNHX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H12N2O2.2ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;;/h1-2,5,11H,3-4,9-10H2;2*1H |
| IUPAC name chemrof:IUPAC_name | 2-(2,4-diaminophenoxy)ethanol Dihydrochloride |
| Molecular formula chemrof:molecular_formula | C8H14Cl2N2O2 |
| Molecular mass chemrof:molecular_mass | 241.118 |
| Monoisotopic mass chemrof:monoisotopic_mass | 240.043233 |
| SMILES string chemrof:smiles_string | Cl.Cl.Nc1ccc(OCCO)c(N)c1 |
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=66422-95-5 | enrich_references.consensus_cas_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3070462 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z5Y843J6KQ | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/47932 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27295039 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| dfe3fbbe-4f85-4a95-b22f-7cbd9ec92344 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 1b716cdf-ee9c-4604-a716-2a62e0b1ec97 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8aad4dec-37ab-42e2-9f32-a7b110a2b46e | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 858e7452-0e57-4dce-b1e6-2ff39d18adc5 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5bb0b083-e271-484d-a444-285c4b6cf94c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 7c8f1200-f6b5-4bd2-9614-79a8e6ca3db2 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 28e7f703-eb1d-4d0c-acd2-f92a7ab22222 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 337f155c-3ad7-42f0-b667-a96aaf525a08 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| fa1ce3b1-ebb7-4a36-8f6a-7c1042818c8d | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 139bcd25-21c9-44c7-a823-d170527d34aa | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 52be52d8-c4d1-4532-bbe6-39cb4c77f79e | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| c4ad091b-e667-4cfc-9c56-85a4b89b22c9 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fe6bc245-4d94-4630-86d2-383b83919619 | 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-e97ec83da0aca067",
"prefLabel": [
{
"@value": "2-(2,4-diaminophenoxy)ethanol Dihydrochloride",
"@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": "2,4-Diamino-1-(2-hydroxyethoxy)benzene dihydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:66422-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,4-Diaminophenoxyethanol dihydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:66422-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-2-Hydroxyethoxy-1,3-Benzenediamine dihydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:66422-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethanol, 2-(2,4-diaminophenoxy)-, dihydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:66422-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethanol, 2-(2,4-diaminophenoxy)-, hydrochloride (1:2)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:66422-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H14Cl2N2O2"
],
"attested_by": {
"C8H14Cl2N2O2": [
"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:47932"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(OCCO)c(N)c1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"VXYWXJXCQSDNHX-UHFFFAOYSA-N"
],
"attested_by": {
"VXYWXJXCQSDNHX-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:47932"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(OCCO)c(N)c1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cl.Cl.Nc1ccc(OCCO)c(N)c1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(2,4-diaminophenoxy)ethanol Dihydrochloride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(OCCO)c(N)c1"
]
}
],
"attested_by": {
"Cl.Cl.Nc1ccc(OCCO)c(N)c1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C8H12N2O2.2ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;;/h1-2,5,11H,3-4,9-10H2;2*1H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(2,4-diaminophenoxy)ethanol Dihydrochloride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(OCCO)c(N)c1"
]
}
],
"attested_by": {
"InChI=1S/C8H12N2O2.2ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;;/h1-2,5,11H,3-4,9-10H2;2*1H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2-(2,4-diaminophenoxy)ethanol Dihydrochloride"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2-(2,4-diaminophenoxy)ethanol Dihydrochloride"
]
},
"attested_by": {
"2-(2,4-diaminophenoxy)ethanol Dihydrochloride": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
241.118
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=C(C=C1N)N)OCCO.Cl.Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(OCCO)c(N)c1"
]
}
],
"attested_by": {
"241.118": [
"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": [
240.043233
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=C(C=C1N)N)OCCO.Cl.Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cl.Cl.Nc1ccc(OCCO)c(N)c1"
]
}
],
"attested_by": {
"240.043233": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=66422-95-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"66422-95-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3070462",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:47932;CAS:66422-95-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[66422-95-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z5Y843J6KQ",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:47932;CAS:66422-95-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[66422-95-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/47932",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:47932;CAS:66422-95-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[66422-95-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27295039",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:47932;CAS:66422-95-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[66422-95-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "139bcd25-21c9-44c7-a823-d170527d34aa",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_neutral",
"reason": "",
"types": [
"https://w3id.org/chemrof/MolecularComplex"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"66422-95-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=66422-95-5"
}
],
"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": [
"266-357-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=266-357-1"
],
"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/MolecularComplex"
]
}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