3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate
Grundinformationen
- CAS
75621-03-3- Standard-SMILES
C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C- InChIKey
UMCMPZBLKLEWAF-BCTGSCMUSA-N- Summenformel
- C32H58N2O7S
- Durchschnittliche Molmasse
- 614,9 g/mol
- Monoisotopische Masse
- 614,39647337
Überblick
3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate is an ammonium betaine. It is functionally related to a cholic acid. It is a conjugate base of a 3-[(cholamidopropyl)dimethylammonio]-1-propanesulfonate.
Namen und Bezeichner
- Bevorzugter Name
- 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate
- IUPAC
- 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate
- Englischer Name
- CHAPS
- Summenformel
- C32H58N2O7S
- Molmasse
- 614.88
Namen und Synonyme
CHAPS75621-03-33-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATEQBP25342AG1-Propanaminium, N,N-dimethyl-3-sulfo-N-(3-(((3alpha,5beta,7alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)propyl)-,hydroxide, inner salt3-(3-cholamidopropyl)dimethylammoniumpropane sulfonate1-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, hydroxide, inner saltCholic acid sulfobetaine1-propanaminium, N,N-dimethyl-3-sulfo-N-(3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)propyl)-, hydroxide, inner salt3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]ammonio]propane-1-sulfonate3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate3-(dimethyl-(3-(((4R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)pentanoyl)amino)propyl)ammonio)propane-1-sulfonate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 155 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 42
- Formalladung
- 0
- Komplexität
- 1.030
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionSolid; [Merck Index] White crystalline powder; [Amresco MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 156 · 156-158°C (dec.)
- Dichte
- 1.01 g/mL · 1.01 g/mL at 20 °C
- Brechungsindex
- 1.69 · 1.6900 (estimate)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 2 O: · H2O: 50 mg/mL at 20 °C, clear, colorless
- Aggregatzustand
- Crystalline Powder
- Farbe
- White
- Geruch (Odor)
- Odorless
- PH
- 6 · 6 (100g/L in H2O)
- Wasserlöslichkeit
- Soluble in water (10 mg/ml). Soluble in DMF and hot methanol.
- Merck
- 2044 · 2044
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 181) of reports.
Warning
H315 (98.3%): Causes skin irritation [Warning Skin corrosion/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 181 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information3-[(3-Cholamidopropyl)-dimethylammonio]-propane-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Amresco MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (98.3%)
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- hs_code
- 29239000
- risk_code
- 36/37/38-61
- hazard_code
- Xi,T
- safety_code
- 26-36-45-53
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Verwendung und Herstellung
UsesUsed as a non-denaturing biological detergent; [Merck Index]
Anwendungen
VerwendenCHAPS is a zwitterionic nondenaturing detergent for solubilizing membrane proteins. It is used in the laboratory to dissolve biological macromolecules such as proteins. It acts as a non-denaturing solvent used in purification of membrane proteins. It is also useful in conjunction with nonionic detergents like Triton X-100. Further, it is used as a non-denaturing zwitterionic detergent for membrane biochemistry.
Anbieter100 Anbieter
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
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