N-(2-ethoxyphenyl)-3-hydroxy-2-naphthamide
fo-39b7b255d2526a20
Identity
- Type
- Neutral molecule
- CAS
- 92-74-0
- EC
- 202-185-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
36- 2-Hydroxy-3-naphtho-o-phenetidide
- 2-Naphthalenecarboxamide, N-(2-ethoxyphenyl)-3-hydroxy-
- 2-Naphtho-o-phenetidide, 3-hydroxy-
- 2′-Ethoxy-3-hydroxy-2-naphthanilide
- 3-Hydroxy-2-naphtho-o-phenetidide
- Acco Naf-Sol AS-PH
- Acco Naphthol AS-PH
- Acna Naphthol OF
- Amanil Naphthol AS-PH
- Amarthol AS-PH
- Anarthol AS-PH
- Azoic Coupling Component 14
- Azotol OF
- C.I. Azoic Coupling Component 14
- Conazoic AD
- Daito Grounder PH
- Dycosthol AS-PH
- Hebeithol AS-PH
- Hiltonaphthol AS-PH
- Kambothol ASPH
- Kiwa Grounder PH
- N-(2-Ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide
- Naftol AS-PH
- Naphtanilide phenyl
- Naphtanilide phenyl Supra
- Naphtazol OP
- Naphthanil OP
- Naphthol AS-OP
- Naphthol AS-PH
- Naphthol AS-phenyl
- Naphthol AS-phenyl Supra
- Naphthol AS-RO
- Naphtoelan phenyl
- Naphtol AS-phenyl
- Napthol ASPH
- Tulathol AS-phenyl
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | NXIGDUAONGBUKR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C19H17NO3/c1-2-23-18-10-6-5-9-16(18)20-19(22)15-11-13-7-3-4-8-14(13)12-17(15)21/h3-12,21H,2H2,1H3,(H,20,22) |
| IUPAC name chemrof:IUPAC_name | N-(2-ethoxyphenyl)-3-hydroxy-2-naphthamide |
| Molecular formula chemrof:molecular_formula | C19H17NO3 |
| Molecular mass chemrof:molecular_mass | 307.349 |
| Monoisotopic mass chemrof:monoisotopic_mass | 307.120843 |
| SMILES string chemrof:smiles_string | CCOc1ccccc1NC(=O)c1cc2ccccc2cc1O |
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=92-74-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.987 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2059063 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=50681 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5KBB37245W | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J73.264H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/66716 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020094 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27262483 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0eb7bccf-78b6-4f8f-94e5-ae26c207e8cb | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 78fc73b7-382d-4af1-8a6a-0c62e6fea2f4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e964badd-d683-4cce-9535-47ec0449d460 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| bace5804-5386-4577-a3ee-17239c7ca4aa | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5948d9a7-c6d1-47b0-8832-61f6dfdc484c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| b4795724-4da7-47e8-9ad2-94147f4f2da7 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ca1cca2a-98c7-4f8a-bdb5-f0b73b33be9c | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 07b3c7d6-4bee-41ce-96af-054600d71474 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| fc3178cf-e3fa-4d90-911a-c48539d32511 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 9794914a-4bea-4a7f-881b-65a2815a2bbf | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| dca9843b-def0-41b1-8b2a-5436cc422824 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| aad77eef-bb54-4ece-8c39-bc461f61d3cb | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 7aba9301-5998-47dd-bd9c-bef0e3c31815 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
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{
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{
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{
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{
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{
"@value": "Naftol AS-PH",
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},
{
"@value": "Naphtanilide phenyl",
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{
"@value": "Naphtanilide phenyl Supra",
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{
"@value": "Naphtazol OP",
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{
"@value": "Naphthanil OP",
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{
"@value": "Naphthol AS-OP",
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{
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{
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{
"@value": "Naphthol AS-phenyl Supra",
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{
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},
{
"@value": "Naphtoelan phenyl",
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{
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},
{
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},
{
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"properties": {
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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