Mechlorethamine
08a91e70-3ddc-11dd-a286-0050c2490048
Identity
- Substance
- fo-1d60db444d0adb51 NeutralMolecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Ground level → Urban (>1000 people/square mile)
- CAS
- 51-75-2
- EC
- 200-120-5
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Urban (>1000 people/square mile)
- Strata
- Ground level
Alternative labels
36- 2,2'-dichloro-N-methyldiethylamine
- 2-chloro-N-(2-chloroethyl)-N-methylethanamine
- Chlormethine
- N-methyl-bis(2-chloroethyl)amine
- N-methyl-bis(beta-chloroethyl)amine
- beta,beta'-dichlorodiethyl-N-methylamine
- bis(2-chloroethyl)methylamine
- bis(beta-chloroethyl)methylamine
- methylbis(2-chloroethyl)amine
- methylbis(beta-chloroethyl)amine
- Nitrogen Mustard
- 2,2′-Dichloro-N-methyldiethylamine
- N,N-Bis(2-chloroethyl)methylamine
- N,N-Di(chloroethyl)methylamine
- N-Methyl-2,2′-dichlorodiethylamine
- N-Methylbis(2-chloroethyl)amine
- N-Methylbis(β-chloroethyl)amine
- Bis(β-chloroethyl)methylamine
- Chlorethazine
- Cloramin
- Di(2-chloroethyl)methylamine
- Diethylamine, 2,2′-dichloro-N-methyl-
- Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-
- HN2
- HN2 (amine)
- Ledaga
- MBA
- MeSH ID: D008466
- Methyl-β,β-dichlorodiethylamine
- Methylbis(β-chloroethyl)amine
- Methyldi(2-chloroethyl)amine
- Mustargen
- Mustine
- Mustine Note
- Nitrogen mustard (HN 2)
- Valchlor
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 08a91e70-3ddc-11dd-a286-0050c2490048 | nitrogen mustard | 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 | 08a91e70-3ddc-11dd-a286-0050c2490048 | nitrogen mustard | Emissions/Emissions to air/Emissions to urban air close to ground | exactMatch | — |
History
The change log and the PROV-O trail (4 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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