Hexadecyltrimethylammonium hydroxide

Product Information

Molecular Formula:
C19H42N.OH
Molecular Weight:
301.55
Description
Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.
Synonyms
hexadecyltrimethylammoniumhydroxidetitrant; n,n,n-trimethyl-1-hexadecanaminiuhydroxide; HEXADECYLTRIMETHYLAMMONIUM HYDROXIDE; CETYLTRIMETHYLAMMONIUM HYDROXIDE; N-HEXADECYLTRIMETHYLAMMONIUM HYDROXIDE; N-Cetyl Trimethyl AmmoNium Hydroxide 40% solutioN iN MethaN
IUPAC Name
hexadecyl(trimethyl)azaniumhydroxide
Canonical SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[OH-]
InChI
InChI=1S/C19H42N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H2/q+1;/p-1
InChI Key
WJLUBOLDZCQZEV-UHFFFAOYSA-M
Flash Point
11 ℃
Purity
95%
Density
0.988
Appearance
clear colorless to pale yellow solution
Storage
2-8ºC
Refractive Index
1.3720

Safety Information

Hazards
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:
IF SWALLOWED:
Rinse mouth.
Do NOT induce vomiting.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Signal Word
Danger

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
15
Exact Mass
301.334464995 g/mol
Monoisotopic Mass
301.334464995 g/mol
Topological Polar Surface Area
1Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
181
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
2
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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