Grundinformationen
- Standard-SMILES
O=S(=O)(O)CCCN1CCOCC1- InChIKey
DVLFYONBTKHTER-UHFFFAOYSA-N- Summenformel
- C7H15NO4S
- Durchschnittliche Molmasse
- 209,27 g/mol
- Monoisotopische Masse
- 209,07217913
Namen und Bezeichner
- Bevorzugter Name
- Mops
- IUPAC
- 3-morpholin-4-ylpropane-1-sulfonic acid
- Lokaler Name
- 4-Morpholinopropansulfonsäure
- Englischer Name
- MOPS
- Summenformel
- C7H15NO4S
- Molmasse
- 209.26
Namen und Synonyme
MOPS1132-61-23-Morpholinopropanesulfonic acid4-Morpholinepropanesulfonic acid3-(N-Morpholino)propanesulfonic acidMorpholinopropane sulfonic acid3-morpholin-4-ylpropane-1-sulfonic acidMorpholinopropanesulfonic acidDTXSID4044371273BP63NV3DTXCID2024371CHEBI:44115
Weitere Namen anzeigen
MOPS FREE ACID4-propanesulfonyl morpholine3-Morpholinopropanesulfoinc Acid4-morpholinopropanesulphonic acid3-MORPHOLINOPROPANESULPHONIC ACID
RefChem:926116morpholine propanesulphonic acidCHEBI:39074214-478-53-Morpholinopropane-1-sulfonic acid3-(morpholin-4-yl)propane-1-sulfonic acid3[N-MORPHOLINO]PROPANE SULFONIC ACIDMFCD00006183
Datenbank-Bezeichner
- CAS
1132-61-2- PubChem CID
- 70807
- DTXSID
DTXSID4044371- ChEMBL
CHEMBL1234443- ChEBI
CHEBI:44115- UNII
- 273BP63NV3
- EC Number
- 214-478-5
- Nikkaji
- J7.270B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3,1
- Polarare Oberfläche (TPSA)
- 75,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 227
Experimentelle und physikochemische Eigenschaften
Physical DescriptionWhite solid; [Merck Index] White odorless powder; [Caledon Laboratories MSDS]
Collision Cross Section
142.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4044371]；149.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4044371]；154.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4044371]；142.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4044371]
Physikochemische Eigenschaften
- Schmelzpunkt
- 277 · 277-282 °C
- Dichte
- 1.3168 · 1.3168 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.637 · 1.6370 (estimate)
- Flammpunkt
- 116 °C · 116 °C
- storage temp.
- room temp
- Löslichkeit
- 2 O: · H2O: 1 M at 20 °C, clear
- Aggregatzustand
- Powder/Solid
- Farbe
- White
- PH
- 2.5 · 2.5-4.0 (25℃, 1M in H2O)
- pka
- 7.2 · 7.2(at 25℃)
- Geruch (Odor)
- Odorless
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- 1000 g/L · 1000 g/L (20 ºC)
- Merck
- 14 · 14,6265
- BRN
- 1106776 · 1106776
- Stabilität
- Stable. Incompatible with strong bases, strong oxidizing agents.
- Kosmetik-Inhaltsstoffe Funktionen
- BUFFERINGBLEACHING
- InChI
- 1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
- InChIKey
- DVLFYONBTKHTER-UHFFFAOYSA-N
- SMILES
- OS(=O)(=O)CCCN1CCOCC1
- LogP
- -2.94 at · -2.94 at 20℃
- CAS Datenbank
- 1132 · 1132-61-2(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · 4-Morpholinepropanesulfonic acid (1132-61-2)
- Absorption
- 0.05 at · ≤0.05 at 260nm≤0.05 at 280nm
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 45.9% (189 of 412) of reports.
Warning
H315 (53.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (53.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (52.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 412 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 189 of 412 reports by companies.；There are 16 notifications provided by 223 of 412 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: 4-Morpholinepropanesulfonic acid
Status: Active Update: 06-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21270；Status: Active Update: 09-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21115
MOPS: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Caledon Laboratories MSDS] See N-Ethylmorpholine.
Hazard Classes and CategoriesSkin Irrit. 2 (53.4%)；Eye Irrit. 2 (53.4%)；STOT SE 3 (52.7%)
Regulatorische Informationen
Regulatory Information
Chemical: 4-Morpholinepropanesulfonic acid
Status: Active Update: 06-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21270；Status: Active Update: 09-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21115
MOPS: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29349990
- RTECS-Nr.
- QE9104530
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a biological buffer; [Merck Index] Used as a laboratory reagent; [Caledon Laboratories MSDS]
General Manufacturing Information4-Morpholinepropanesulfonic acid: ACTIVE
Anwendungen
VerwendenDue to its inert nature, 3-morpholinopropanesulfonic acid (MOPS) is widely used as a buffer in many biochemical studies. MOPS has been used as a cell culture additive component in lentiviral particle production, a buffering agent in microbial growth medium and nuclei extraction buffer, a component of Roswell Park Memorial Institute (RPMI) medium for diluting fungal inoculum, and a buffer in capillary-zone electrophoresis to test performance. It is also used for the dilution of proteins from algal samples.
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Ergänzende Hinweise
DefinitionChEBI: 3-(N-morpholino)propanesulfonic acid is a Good's buffer substance, pKa = 7.2 at 20 ℃. It is a member of morpholines, a MOPS and an organosulfonic acid. It is a conjugate acid of a 3-(N-morpholino)propanesulfonate. It is a tautomer of a 3-(N-morpholiniumyl)propanesulfonate.
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