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3-(N,N-dimethyldodecylammonio) propanesulfona ( CASNO:14933-08-5 )
Identification and Related Records
- 3-(N,N-dimethyldodecylammonio) propanesulfonate
- CAS Registry number:
- 3-(N,N-dimethyldodecylammonio)propane sulfonate,40% in H2O
N,N-Dimethyl-N-dodecyl-N-(3-sulfopropyl) ammonium betaine
Dodecanaminium-N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt
ZWITTERGENT 3-12 Detergent
3-sulfopropyl dodecyl dimethyl ammonium betaine
- Molecular Formula:
- Molecular Weight:
- Canonical SMILES:
Chemical and Physical Properties
- Melting Point:
- Boiling Point:
- Flash Point:
- 1 M at 20 °C in water, clear, colorless
- Storage temp:
- Computed Properties:
- Molecular Weight:335.54558 [g/mol]
Rotatable Bond Count:14
Topological Polar Surface Area:65.6
Heavy Atom Count:22
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:
- Risk Statements:
- Safety Statements:
- Hazard Codes of N,N-Dimethyl-N-(3-sulfopropyl)-1-dodecanaminium hydroxide, inner salt (CAS NO.14933-08-5): C,Xi
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
- UN 3261
Use and Manufacturing
- 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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