N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide
fo-4773c9b82519caaa
Identity
- Type
- Neutral molecule
- CAS
- 12236-64-5
- EC
- 235-464-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
10- 2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-4-[2-[5-(aminocarbonyl)-2-chlorophenyl]diazenyl]-3-hydroxy-
- 2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-4-[[5-(aminocarbonyl)-2-chlorophenyl]azo]-3-hydroxy-
- 2-Naphthanilide, 4′-acetamido-4-[(5-carbamoyl-2-chlorophenyl)azo]-3-hydroxy-
- C.I. Pigment Orange 38
- Graphtol Red HFG
- N-[4-(Acetylamino)phenyl]-4-[2-[5-(aminocarbonyl)-2-chlorophenyl]diazenyl]-3-hydroxy-2-naphthalenecarboxamide
- Novoperm Orange HFG
- Novoperm Red HFG
- Permanent Red HFG
- PV-Red HFG
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | UHZVOVCIPHZPEI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C26H20ClN5O4/c1-14(33)29-17-7-9-18(10-8-17)30-26(36)20-12-15-4-2-3-5-19(15)23(24(20)34)32-31-22-13-16(25(28)35)6-11-21(22)27/h2-13,34H,1H3,(H2,28,35)(H,29,33)(H,30,36) |
| IUPAC name chemrof:IUPAC_name | N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide |
| Molecular formula chemrof:molecular_formula | C26H20ClN5O4 |
| Molecular mass chemrof:molecular_mass | 501.93 |
| Monoisotopic mass chemrof:monoisotopic_mass | 501.120382 |
| SMILES string chemrof:smiles_string | CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1 |
Known URLs
6Where 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=12236-64-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.032.228 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4065288 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.905F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/82995 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81985316 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b1214054-751b-439d-85c5-8624d6970526 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 9e955f68-9624-41e0-97ff-f31c26466d3f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 9917e96a-1213-4acd-9258-a1b7224e7bea | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| ffc6fed9-18af-45fd-87e3-2be29ea1e57b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 06400e08-e195-4fc6-a94d-09cdd70f6558 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fd47c175-6268-4af6-ba23-31c596f0e63b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 70f6ab66-ae05-4f48-a6bc-ca540ef35bc5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 7a3b0b5a-465f-4c00-981a-43878e2ca84f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| fb9cace0-1225-4517-9124-916a0921b0d9 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 027bbdaf-0c2a-4710-a9dd-6b9eabf1bb8f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 632302a1-3e61-4fe9-a3f3-fc7953993656 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 205d88c8-cee4-4bf4-8044-6adf2563f3fb | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3ab632e4-1eb7-4f08-a8f5-d8996f695e1e | 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-4773c9b82519caaa",
"prefLabel": [
{
"@value": "N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide",
"@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-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-4-[2-[5-(aminocarbonyl)-2-chlorophenyl]diazenyl]-3-hydroxy-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:12236-64-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-4-[[5-(aminocarbonyl)-2-chlorophenyl]azo]-3-hydroxy-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:12236-64-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Naphthanilide, 4′-acetamido-4-[(5-carbamoyl-2-chlorophenyl)azo]-3-hydroxy-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:12236-64-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "C.I. Pigment Orange 38",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:12236-64-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Graphtol Red HFG",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:12236-64-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-[4-(Acetylamino)phenyl]-4-[2-[5-(aminocarbonyl)-2-chlorophenyl]diazenyl]-3-hydroxy-2-naphthalenecarboxamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:12236-64-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Novoperm Orange HFG",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:12236-64-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Novoperm Red HFG",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:12236-64-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Permanent Red HFG",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:12236-64-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "PV-Red HFG",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:12236-64-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C26H20ClN5O4"
],
"attested_by": {
"C26H20ClN5O4": [
"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:82995"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"UHZVOVCIPHZPEI-UHFFFAOYSA-N"
],
"attested_by": {
"UHZVOVCIPHZPEI-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:82995"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1"
]
}
],
"attested_by": {
"CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C26H20ClN5O4/c1-14(33)29-17-7-9-18(10-8-17)30-26(36)20-12-15-4-2-3-5-19(15)23(24(20)34)32-31-22-13-16(25(28)35)6-11-21(22)27/h2-13,34H,1H3,(H2,28,35)(H,29,33)(H,30,36)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1"
]
}
],
"attested_by": {
"InChI=1S/C26H20ClN5O4/c1-14(33)29-17-7-9-18(10-8-17)30-26(36)20-12-15-4-2-3-5-19(15)23(24(20)34)32-31-22-13-16(25(28)35)6-11-21(22)27/h2-13,34H,1H3,(H2,28,35)(H,29,33)(H,30,36)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide"
]
},
"attested_by": {
"N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
501.93
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)N)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1"
]
}
],
"attested_by": {
"501.93": [
"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": [
501.120382
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)N)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1"
]
}
],
"attested_by": {
"501.120382": [
"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=J93.905F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82995;CAS:12236-64-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[12236-64-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.032.228",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82995;CAS:12236-64-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[12236-64-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=12236-64-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"12236-64-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID4065288",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82995;CAS:12236-64-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[12236-64-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/82995",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82995;CAS:12236-64-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[12236-64-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81985316",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82995;CAS:12236-64-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[12236-64-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "027bbdaf-0c2a-4710-a9dd-6b9eabf1bb8f",
"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": [
"12236-64-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=12236-64-5"
}
],
"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": [
"235-464-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=235-464-5"
],
"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