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132172-61-3

132172-61-3 structural image
Product Name: N-[1-(2,3-DIOLEYLOXY)PROPYL]-N,N,N-TRIMETHYLAMMONIUM CHLORIDE
Formula: C42H80ClNO4
Synonyms: 1,2-dioleoyl-3-trimethylammonium-propane (chloride salt);N-[1-(2,3-Dioleoyloxy)propyl]-N,N,N-trimethylammonium chloride
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
H336:Specific target organ toxicity,single exposure; Narcotic effects
H351:Carcinogenicity
H372:Specific target organ toxicity, repeated exposure
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P273:Avoid release to the environment.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 698.5 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 37
Exact Mass 697.5775877 g/mol
Monoisotopic Mass 697.5775877 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 48
Formal Charge 0
Complexity 754
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes