2-[(4-aminophenyl)sulfonyl]ethyl Hydrogen Sulfate
fo-99e4b0aee42daa0f
Identity
- Type
- Neutral molecule
- CAS
- 2494-89-5
- EC
- 219-669-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
23- 1-Aminobenzene-4-(2-sulfatoethyl)sulfone
- 1-Aminobenzene-4-β-sulfatoethylsulfone
- 2-(4-Aminobenzenesulfonyl)ethyl sulfate
- 2-(4-Aminophenylsulfonyl)ethyl bisulfate
- 2-[(p-Aminophenyl)sulfonyl]ethyl hydrogen sulfate
- 4-(2-Sulfatoethylsulfonyl)aniline
- 4-(Ethylsulfuratesulfonyl) aniline
- 4-(β-Sulfatoethylsulfonyl)aniline
- 4-[(β-Sulfooxyethyl)sulfonyl]aniline
- 4-Amino-1-β-sulfatoethylsulfonylbenzene
- 4-Aminophenyl 2-sulfatoethyl sulfone
- 4-Aminophenyl β-hydroxyethyl sulfone sulfate ester
- 4-Aminophenyl β-sulfatoethyl sulfone
- [2-[(4-Aminobenzene)sulfonyl]ethoxy]sulfonic acid
- Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate)
- Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester)
- Ethanol, 2-sulfanilyl-, hydrogen sulfate
- Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester)
- p-(2-Sulfatoethylsulfonyl)aniline
- p-(β-Sulfatoethylsulfonyl)aniline
- p-Aminophenyl 2-sulfatoethyl sulfone
- p-Aminophenyl β-sulfatoethyl sulfone
- Para Base Sulfate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IALORYHODRVWKZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14) |
| IUPAC name chemrof:IUPAC_name | 2-[(4-aminophenyl)sulfonyl]ethyl Hydrogen Sulfate |
| Molecular formula chemrof:molecular_formula | C8H11NO6S2 |
| Molecular mass chemrof:molecular_mass | 281.311 |
| Monoisotopic mass chemrof:monoisotopic_mass | 281.002779 |
| SMILES string chemrof:smiles_string | Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1 |
Known URLs
7Where 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=2494-89-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.017.882 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0027484 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5R04R0T8IA | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.676I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/75615 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27262761 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 089a1ef9-44d3-411c-ab0b-50c65a33fb3c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 33a8257b-f66f-4a3b-94f4-7913725fe2af | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 507cdaef-e533-4217-99f0-a8841ea81b26 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| b06807e0-3e3c-4578-a291-b6d1a43f6ac5 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| efb51f04-e30d-457f-8d65-a296b289984f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| fdbd8895-c579-4097-97ef-23c06ecbb4c7 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 48e41986-57f3-45d4-bcae-5aa5046a2b07 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 7836200f-5be9-4d81-8ad0-5e5194866d3b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| bea778b8-c636-4213-986c-6498831abf02 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| dcbc7e8c-eb82-44bf-86c6-11ffc68eecee | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 25f4c1d3-fb6a-4995-8c6f-6c40df8a5cda | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 61e2c87f-7a2d-4c4f-a260-da2b38fca126 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f6ce8312-e0bc-4a1c-82d4-430b6c6b857e | 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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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