3-(n-morpholino)propanesulfonic Acid Sodium Salt
fo-b1dee00c87f6608e
Identity
- Type
- Chemical salt
- CAS
- 71119-22-7
- EC
- 428-420-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
4- 4-Morpholinepropanesulfonic acid, sodium salt
- 4-Morpholinepropanesulfonic acid, sodium salt (1:1)
- Sodium 3-(N-morpholino)propanesulfonate
- Sodium 3-(N-morpholino)propanesulfonic acid
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | MWEMXEWFLIDTSJ-UHFFFAOYSA-M, OFDYORSAFNFAGK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H15NO4S.Na/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;/h1-7H2,(H,9,10,11);/q;+1/p-1 |
| IUPAC name chemrof:IUPAC_name | 4-Morpholinepropanesulfonic acid, sodium salt |
| Molecular formula chemrof:molecular_formula | C10H21NO5, C7H14NNaO4S |
| SMILES string chemrof:smiles_string | O=S(=O)([O-])CCCN1CCOCC1.[Na+] |
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=71119-22-7 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.102.680 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.115.307 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.129.406 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3072246 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.716B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/123134514 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3859613 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72492668 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2c09f5ba-d4cd-4334-bc1c-c365f1663ff5 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 7020efde-09f4-4147-b51c-1de496f63561 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 45e0ea56-b604-4d15-8f3b-9480e35b4da6 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 6458c87f-addf-4a25-9112-9ae33126e599 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 09d335a2-b4d1-4bee-8285-845bfa1a6742 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 7871632a-4c7d-4904-809a-c5590c2a8dd4 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| f3aa0c15-f755-44bb-8a2c-3e94eed5c396 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 60826a0d-b7e1-4225-990f-4e32ed1ca9f3 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| f19043f2-3537-4f81-bd01-fbe77a584266 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 5dc11ea1-34d5-439c-94ad-55ce6223795d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 6edf4f1a-f856-4644-8b5d-70fa935ebe56 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 7e2b3854-110f-4ace-a9f5-5b4c5aa89332 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| cc42132c-b256-47ea-b853-de71931b4a7b | 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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- This is not that chemical
- This record is two substances, or it is a second copy of one
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