Cas no 82473-24-3 (3-(3-Cholamidopropyl)dimethylammonio-2-hydroxy-1-propanesulfonate)

3-(3-Cholamidopropyl)dimethylammonio-2-hydroxy-1-propanesulfonate structure
82473-24-3 structure
Product Name:3-(3-Cholamidopropyl)dimethylammonio-2-hydroxy-1-propanesulfonate
CAS No:82473-24-3
MF:C32H58N2O8S
MW:630.876529216766
MDL:MFCD00081079
CID:60448
PubChem ID:329829889
Update Time:2024-10-27

3-(3-Cholamidopropyl)dimethylammonio-2-hydroxy-1-propanesulfonate Chemical and Physical Properties

Names and Identifiers

    • 3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate
    • CHAPSO
    • 3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate (CHAPSO)
    • 1,3-Cyclohexanediol, Mixture of cis and trans
    • 3-((3-cholamidopropyl)dimethylammonio)-2-hydroxy
    • 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-2-HYDROXY-1-PROPANE SULPHONATE
    • 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-2-HYDROXY-1-PROPANESULPHONATE (ULTRAPURE)
    • CHAPSO ELECTROPHORESIS REAGENT
    • CHAPSO extrapure
    • CHAPSO,ELECTROPHORESISGRADE
    • CHAPS Hydroxy analog
    • 3-((3-cholamidopropyl)dimethylammonio)-2-hydroxy-1-propanesulfonate
    • CHAPSO, BioXtra
    • 3-([3-Cholamidopropyl]dimethylammonio)-2-hydroxy-1-propanesulfonate
    • CHAPSO, >=98%
    • GUQQBLRVXOUDTN-XOHPMCGNSA-N
    • 3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propane sulfonate
    • CHAPSO, Vetec(TM) reagent grade, >=98%
    • ST2404
    • 3- [(3-cholamine propyl) dimethylamino] -2-hydroxy-1-propanesulfonic acid internal salt
    • 3-(3-Cholamidopropyl)dimethylammonio-2-hydroxy-1-propanesulfonate
    • Cholane, 1-propanaminium deriv. (ZCI)
    • (3-[(3-cholaminepropyl)dimethylamino]-2-hydroxy-1-propanesulfonic acid inner salt)
    • MDL： MFCD00081079
    • Inchi： 1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1
    • InChI Key： GUQQBLRVXOUDTN-XOHPMCGNSA-N
    • SMILES： O[C@@H]1C[C@@H]2C[C@@H](CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@H](C)CCC(=O)NCCC[N+](C)(C)CC(O)CS([O-])(=O)=O)[C@]1([C@H](C2)O)C)O

Computed Properties

  • Exact Mass: 630.39100
  • Monoisotopic Mass: 630.391
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 11
  • Complexity: 1070
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.9
  • Topological Polar Surface Area: 176

Experimental Properties

  • Color/Form: White powder
  • Density: 1.0453 (rough estimate)
  • Melting Point: 184-186?°C (lit.)
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.6900 (estimate)
  • Solubility: H2O: 10?mg/mL at?20?°C, clear, colorless
  • PSA: 175.60000
  • LogP: 3.32460
  • Merck: 13,2052
  • Conductivity: ≤100?μmho per cm at 24?°C (0.5?M aqueous solution)
  • Solubility: 10 g/l （ 20 °C）

3-(3-Cholamidopropyl)dimethylammonio-2-hydroxy-1-propanesulfonate Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315,H319,H335
  • Warning Statement： P261,P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S36
  • FLUKA BRAND F CODES：3-10
  • Hazardous Material Identification： Xi
  • Storage Condition：?20°C
  • Risk Phrases：R36/37/38

3-(3-Cholamidopropyl)dimethylammonio-2-hydroxy-1-propanesulfonate Pricemore >>

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3-(3-Cholamidopropyl)dimethylammonio-2-hydroxy-1-propanesulfonate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Methanol ,  Water ;  2 d, 75 °C
Reference
Thermal Stabilization of Bicelles by a Bile-Salt-Derived Detergent: A Combined 31P and 2H Nuclear Magnetic Resonance Study
Morales, Hannah Hazel; et al, Langmuir, 2014, 30(50), 15219-15228

Production Method 2

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  overnight, rt
2.1 Reagents: Sodium bicarbonate Solvents: Methanol ,  Water ;  2 d, 75 °C
Reference
Thermal Stabilization of Bicelles by a Bile-Salt-Derived Detergent: A Combined 31P and 2H Nuclear Magnetic Resonance Study
Morales, Hannah Hazel; et al, Langmuir, 2014, 30(50), 15219-15228

Production Method 3

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ;  1 h, cooled; 3 h, rt
2.1 Solvents: Tetrahydrofuran ;  overnight, rt
3.1 Reagents: Sodium bicarbonate Solvents: Methanol ,  Water ;  2 d, 75 °C
Reference
Thermal Stabilization of Bicelles by a Bile-Salt-Derived Detergent: A Combined 31P and 2H Nuclear Magnetic Resonance Study
Morales, Hannah Hazel; et al, Langmuir, 2014, 30(50), 15219-15228

3-(3-Cholamidopropyl)dimethylammonio-2-hydroxy-1-propanesulfonate Raw materials

3-(3-Cholamidopropyl)dimethylammonio-2-hydroxy-1-propanesulfonate Preparation Products

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