N-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine
357f5732-3a99-484d-a38a-3e4c9ffc51cc
Identity
- Substance
- fo-ae393c0e71739d9e NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Water → Long-term
- CAS
- 101990-44-7
- EC
- 600-261-6
Context
- Dimension
- Environmental
- Media
- Water
- Water body
- Long-term
Alternative labels
10- (2-Aminoethyl)[(6-chloropyridin-3-yl)methyl]amine
- 1,2-Ethanediamine, N-[(6-chloro-3-pyridinyl)methyl]-
- 1,2-Ethanediamine, N1-[(6-chloro-3-pyridinyl)methyl]-
- 2-(6-Chloro-3-pyridylmethylamino)ethylamine
- 2-Chloro-5-((2-aminoethyl)aminomethyl)pyridine
- 5-(2-Aminoethylaminomethyl)-2-chloropyridine
- N-(2-Chloro-5-pyridylmethyl)ethylenediamine
- N-(6-Chloro-3-pyridylmethyl)ethylenediamine
- N-[(6-Chloropyridin-3-yl)methyl]ethane-1,2-diamine
- N1-[(6-Chloro-3-pyridinyl)methyl]-1,2-ethanediamine
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 357f5732-3a99-484d-a38a-3e4c9ffc51cc | n-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine | 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 | 357f5732-3a99-484d-a38a-3e4c9ffc51cc | n-[(6-chloro-3-pyridinyl)methyl]-1,2-ethane-diamine | Emissions/Emissions to water/Emissions to water, unspecified (long-term) | exactMatch | — |
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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