Cetyltrimethylammonium hydrogensulfate
Product Information
Molecular Formula
C19H42N.HSO4
Molecular Weight
381.61
Description
Cetyltrimethylammonium hydrogensulfate is a renowned biomedicine chemical extensively employed within the pharmaceutical industry. It exhibits its potent effectiveness as an active constituent across diverse medications and therapies. Its profound utilization thrives in drug formulations specifically tailored to counter infections inflicted by an array of microorganisms encompassing bacteria and fungi. Thus, this compound's undeniable antimicrobial prowess unequivocally renders it a compelling combatant against such afflictions.
Synonyms
CETYLTRIMETHYLAMMONIUM HYDROGENSULFATE; HEXADECYLTRIMETHYLAMMONIUM HYDROGEN SULFATE; Hexadecyltrimethylammonium hydrogensulphate; n,n,n-trimethyl-1-hexadecanaminiusulfate(1:1); Hexadecyltrimethylammonium bisulfate; HEXADECYLTRIMETHYLAMMONIUM HYDROGEN- &; HEX
IUPAC Name
hexadecyl(trimethyl)azaniumhydrogen sulfate
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]
InChI
InChI=1S/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)41-5(2,3)4/h5-19H2,1-4H3(H2,1,2,3,4)/q+1/p-1
InChI Key
UCRJJNVFJGKYQT-UHFFFAOYSA-M
Melting Point
250-260°C
Purity
95%
Appearance
White powder and/or chunks
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
15
Exact Mass
381.29128003 g/mol
Monoisotopic Mass
381.29128003 g/mol
Topological Polar Surface Area
85.8Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
257
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
