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Chemical Product CAS:14933-08-53-(N,N-dimethyldodecylammonio) propanesulfonate

CAS:14933-08-5
3-(N,N-dimethyldodecylammonio) propanesulfonate

  • CAS No:

    14933-08-5
  • Name:

    3-(N,N-dimethyldodecylammonio) propanesulfonate
  • Molecular Formula:

    C17H37NO3S
  • Molecular Weight:

    335.55
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3-(N,N-dimethyldodecylammonio) propanesulfona ( CASNO:14933-08-5 )

Identification and Related Records
Name:
3-(N,N-dimethyldodecylammonio) propanesulfonate
CAS Registry number:
14933-08-5
Synonyms:
3-(N,N-dimethyldodecylammonio)propane sulfonate,40% in H2O
n-Dodecyldimethyl(3-sulfopropyl)ammonium hydroxide
3-(Dodecyldimethylammonio)propanesulfonate
RALUFON DL
N,N-Dimethyl-N-dodecyl-N-(3-sulfopropyl) ammonium betaine
Lauryl-dimethylammonium-3-sulfopropyl betaine
Dodecanaminium-N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt
ZWITTERGENT 3-12 Detergent
Doecyldimethylsulfopropylammoniumhydroxide
98%
3-sulfopropyl dodecyl dimethyl ammonium betaine
N,N-Dimethyldodecylamine-(3-sulfopropyl)-betaine
EINECS(EC#):
239-002-3
Molecular Formula:
C17H37NO3S
Molecular Weight:
335.55
Inchi:
InChI=1/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3
Canonical SMILES:
CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
Chemical and Physical Properties
Density:
g/cm3
Melting Point:
250-247℃
Boiling Point:
°Cat760mmHg
Flash Point:
°C
Solubilities:
1 M at 20 °C in water, clear, colorless
Storage temp:
2-8°C
Computed Properties:
Molecular Weight:335.54558 [g/mol]
Molecular Formula:C17H37NO3S
XLogP3-AA:5
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:14
Exact Mass:335.249415
MonoIsotopic Mass:335.249415
Topological Polar Surface Area:65.6
Heavy Atom Count:22
Formal Charge:0
Complexity:334
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:15
Conformer Sampling RMSD:1.4
CID Conformer Count:77
Safety and Handling
Hazard Codes:
C:Corrosive;
Risk Statements:
R34
Safety Statements:
S26;S36/37/39;S45
Safety:
Hazard Codes of N,N-Dimethyl-N-(3-sulfopropyl)-1-dodecanaminium hydroxide, inner salt (CAS NO.14933-08-5): CorrosiveC,IrritantXi
Risk Statements: 34-36/37/38 
R34: Causes burns. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 3
WGK Germany: 3
F: 3
Transport:
UN 3261
Use and Manufacturing
Usage:
   N,N-Dimethyl-N-(3-sulfopropyl)-1-dodecanaminium hydroxide, inner salt (CAS NO.14933-08-5) is used as a component of alkyl sulfobetaine-type detergents.
Biomedical Effects and Toxicity
Pharmacological Action:
- 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.
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