3-Morpholinopropanesulfonic acid structure

3D Mol Similar

3-Morpholinopropanesulfonic acid

: Iupac Name：3-morpholin-4-ylpropane-1-sulfonic acid; CAS No.: 1132-61-2; Molecular Weight：209.26; Modify Date.: 2022-10-28 01:19; Introduction: 3-morpholinopropanesulfonic acid is a buffer introduced by Good et al. in the 1960s. It is used as a synthetic buffering agent below pH 7.5. View more+

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1. Names and Identifiers

: 1.1 Name; 3-Morpholinopropanesulfonic acid; 1.2 Synonyms; 2-morpholinoethanesulfonic acid 3-(4-Morpholino)propanesulfonic acid 3-(Morpholin-4-ium-4-yl)-1-propanesulfonate 3-(Morpholin-4-ium-4-yl)propan-1-sulfonat 3-(Morpholin-4-ium-4-yl)propane-1-sulfonate 3-(morpholin-4-yl)propane-1-sulfonic acid 3-(N-Morpholino)Propanesulfonic Acid 3-(N-Morpholino)propanesulfonic acid,4-M 3-(N-Morpholino)propanesulfonic acid,4-Morpholinepropanesulfonic acid 3-Morpholinopropane-1-sulfonic acid 3-Morpholinopropanes 3-Morpholinopropanesulfoinc Acid 3-Morpholinopropanesulfonic Acid [Good's buffer component 3-Morpholinopropanesulfonic acid(MOPS) 3-Morpholinopropanesulfonicacid 3-MORPHOLINOPROPANESULPHONIC ACID 4-(MORPHOLINOPROPANE SULFONIC ACID) 4-MORPHOLINEPROPANESULFONIC ACID 4-morpholinepropanesulphonic acid EINECS 214-478-5 MFCD00006183 MOPS MOPS FREE ACID MOPS low sodium MOPS ULTRAPURE MOPS, CONCENTRATE SOLUTION MOPS,BIOLOGICALBUFFER morpholinium propane sulfonate morpholino propane sulphonic acid MORPHOLINOPROPANE SULFONIC ACID TIMTEC-BB SBB009133 WAS 15; View all

1.3 CAS No.: 1132-61-2

1.4 CID: 70807

1.5 EINECS(EC#): 214-478-5

1.6 Molecular Formula: C7H15NO4S (isomer)

1.7 Inchi: InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)

1.8 InChIkey: DVLFYONBTKHTER-UHFFFAOYSA-N

1.9 Canonical Smiles: C1COCCN1CCCS(=O)(=O)O

1.10 Isomers Smiles: C1COCCN1CCCS(=O)(=O)O

2. Properties

2.1 Density: 1.298

2.1 Melting point: 277-282℃

2.1 Refractive index: 1.512

2.1 Flash Point: 116℃

2.1 Precise Quality: 209.07200

2.1 PSA: 75.22000

2.1 logP: 0.61520

2.1 Solubility: H2O: 1 M at 20 °C, clear

2.2 Appearance: white powder

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: White/clear crystalline powder

2.5 Color/Form: White

2.6 Odor: Odorless

2.7 PH: 2.5-4.0 (25℃, 1M in H2O)

2.8 Physical: CBI

2.9 pKa: 7.2(at 25℃)

2.10 Water Solubility: 1000 g/L (20 oC)

2.11 Stability: Stable. Incompatible with strong bases, strong oxidizing agents.

2.12 StorageTemp: room temp

3. Use and Manufacturing

3.1 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 209 companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 16 of 209 companies. For more detailed information, please visit ECHA C&L website

Of the 13 notification(s) provided by 193 of 209 companies with hazard statement code(s):

H315 (98.45%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (98.45%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.41%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.

Precautionary Statement Codes
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501; View all

3.2 Usage: Biological buffer. 3-Morpholinopropanesulfonic acidSupplier

4. Safety and Handling

4.1 Symbol: GHS07

4.1 Hazard Codes: Xi

4.1 Signal Word: Warning

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S26;S36

4.1 Hazard Declaration: H315-H319-H335

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P261-P305 + P351 + P338

4.1 WGK Germany: 1

4.1 RTECS: QE9104530

4.1 Safety: Hazard Codes:?Xi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.
WGK Germany: 1
RTECS: QE9104530
HS Code: 29349990

4.2 Specification: ?MOPS (CAS NO.1132-61-2) is also named as 3-Morpholinopropanesulfonic acid ; 3-N-Morpholinopropanesulfonic acid ; 4-Morpholinepropane sulfonic acid ; 4-Morpholinepropanesulfonic acid ; BRN 1106776 ; Morpholinopropanesulfonic acid?.?MOPS (CAS NO.1132-61-2) is white/clear crystalline powder. It is stable and?incompatible with strong bases, strong oxidizing agents.

4.3 Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
quail	LD50	oral	> 316mg/kg (316mg/kg)	?	Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : D2O

1H NMR : 400 MHz in D2O

IR : KBr disc

Mass

7. Synthesis Route

1132-61-2Total: 1 Synthesis Route

110-91-8 214 Suppliers

1120-71-4 319 Suppliers

1132-61-2 265 Suppliers

Literatures:
Synthetic Communications, , vol. 40, # 24 p. 3640 - 3647
Yield: ~97%

8. Precursor and Product

precursor:

1120-71-4

110-91-8

9. Other Information

9.0 Merck: 14,6265

9.1 BRN: 1106776

9.2 Description: 3-morpholinopropanesulfonic acid is a buffer introduced by Good et al. in the 1960s. It is used as a synthetic buffering agent below pH 7.5.

9.3 Reference: P. H. Quail, D. Marme, E. Schäfer, Particle-bound phytochrome from maize and pumpkin, Nature New Biology, 1973, vol. 245, pp. 189-191

9.4 Chemical Properties: White/clear crystalline powder

9.5 Uses: Biological buffer.

9.6 Description: MOPS (3-morpholinopropanesulfonic acid) is a buffer introduced by Good et al. in the 1960s. It is a structural analog to MES. Its chemical structure contains a morpholine ring. HEPES is a similar pH buffering compound that contains a piperazine ring. With a pKa of 7.20, MOPS is an excellent buffer for many biological systems at near-neutral pH.It is used as a synthetic buffering agent below pH 7.5.

9.7 application: MOPS is frequently used as a buffering agent in biology and biochemistry. It has been tested and recommended for polyacrylamide gel electrophoresis. Usage above 20 mM in mammalian cell culture work is not recommended. MOPS buffer solutions become discolored (yellow) over time, but reportedly slight discoloration does not significantly affect the buffering characteristics.

9.8 Reference: P. H. Quail, D. Marme, E. Sch?fer, Particle-bound phytochrome from maize and pumpkin, Nature New Biology, 1973, vol. 245, pp. 189-191

9.9 Uses: 3-(N-Morpholino)propanesulfonic acid or MOPS due to its inert nature is a preferred and widely used buffer in many biochemical studies.
MOPS has been used as:
a cell culture additive component in lentiviral particle production.
as a buffering agent in microbial growth medium and nuclei extraction buffer.
as a component of Roswell Park Memorial Institute (RPMI) medium for diluting fungal inoculum.
as a buffer in capillary-zone electrophoresis to test performance.
for the dilution of proteins from algal samples.

9.10 Uses: MOPS acts as a multi-purpose buffering agent used in various biological research.

9.11 Uses

MOPS has been used as:

a cell culture additive component in lentiviral particle production
as a buffering agent in microbial growth medium and nuclei extraction buffer

9.12 Usage: MOPS is mainly used in biological experiments as a buffer solution. It is also used in protein purification. Further, it is utilized for polyacrylamide gel electrophoresis.

9.13 Usage: MOPS is frequently used as a buffering agent in biology and biochemistry. It used widely for polyacrylamide gel electrophoresis. It is used as a A morpholino propanesulfonic acid buffer.

9.14 Usage: MOPS is frequently used as a buffering agent in biology and biochemistry. It used widely for polyacrylamide gel electrophoresis. It is used as a morpholino propanesulfonic acid buffer.

10. Computational chemical data

Molecular Weight: 209.26g/mol
Molecular Formula: C₇H₁₅NO₄S
Compound Is Canonicalized: True
XLogP3-AA: -3.1
Exact Mass: 209.07217913
Monoisotopic Mass: 209.07217913
Complexity: 227
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 75.2
Heavy Atom Count: 13
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBiOABAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgQACAAACADlwAaAAAMABIIAAAAAAHBAAAAAAAAAAAAIAAACAAAAAAAHAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

What is 3-Morpholinopropanesulfonic acid and how is it prepared? May 22 2023
Background and Overview 3-Morpholinopropanesulfonic acid, with the molecular formula C7H15NO4S, is a chemical substance commonly known as MOPS. It is a white crystalline powder and serves as a widely ..

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MOPS / 3-Morpholinopropanesulfonic acid 99.5% EINECS 214-478-5