(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol Hydrochloride
4498b57e-dd5f-422e-b7a6-757815eb8242
Identity
- Substance
- fo-e4bc2b5d140c1581 MolecularComplex
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Unknown
- CAS
- 521284-22-0
- EC
- 700-425-8
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Unknown
Alternative labels
8- (R)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride
- (R)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol monohydrochloride
- (R)-2-(4-Aminophenethylamino)-1-phenylethanol hydrochloride
- (R)-2-[(2-(4-Aminophenyl)ethyl)amino]-1-phenylethanol monohydrochloride
- (R)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol hydrochloride
- Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, hydrochloride (1:1), (αR)-
- Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, monohydrochloride, (αR)-
- YM 208876
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 4498b57e-dd5f-422e-b7a6-757815eb8242 | (1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol hydrochloride | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 4498b57e-dd5f-422e-b7a6-757815eb8242 | (1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol hydrochloride | Emissions/Emissions to water/Emissions to water, unspecified | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 75,426 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 75,426 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 75,426 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 75,426 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
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