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Dioctyldimethylammonium Bromide 97%

CAT: 0286-D48435-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-D48435-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3026-69-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00082931
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Dimethyldioctylammonium bromide
CAS Number3026-69-5
PubChem CID76408
IUPAC Namedimethyl(dioctyl)azanium bromide
Molecular FormulaC18H40BrN
Molecular Weight350.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Heavy Atom Count20
Formal Charge0
Complexity157
SMILES
CCCCCCCC[N+](C)(C)CCCCCCCC.[Br-]
InChI
InChI=1S/C18H40N.BrH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKey
APTVNWGLSRAOFJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Dimethyldioctylammonium bromide
CAS: 3026-69-5
CID: 76408
Formula: C18H40BrN
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass349.23441
Monoisotopic Mass349.23441
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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