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15178-76-4

15178-76-4 structural image
Product Name: 3-(Dimethyl-octylazaniumyl)propane-1-sulfonate
Formula: C13H29NO3S
Synonyms: n-Octyl-N,N-dimethyl-3-ammonio-1-propanesulfonate;hplc solvents;Octyl sulfobetaine;SB3-8
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 279.44 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 10
Exact Mass 279.18681496 g/mol
Monoisotopic Mass 279.18681496 g/mol
Topological Polar Surface Area 65.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 281
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
Compound Is Canonicalized Yes