AG0017TA

138-32-9 | 1-Hexadecanaminium, N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1)

AG0017TA

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CAS Number	138-32-9
Catalog Number	AG0017TA(AGN-PC-0PMKFM)
Chemical Name	1-Hexadecanaminium, N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1)
EC Number	205-324-8
IUPAC Name	hexadecyl(trimethyl)azanium;4-methylbenzenesulfonate
InChI	InChI=1S/C19H42N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key	MZMRZONIDDFOGF-UHFFFAOYSA-M
MDL Number	MFCD00061383
Molecular Formula	C26H49NO3S
Molecular Weight	455.7372
SMILES	CCCCCCCCCCCCCCCC[N+](C)(C)C.O=S(C1=CC=C(C)C=C1)([O-])=O
UNII	1P489GK6AR
Synonyms	cetyltrimethylammonium p-toluenesulfonate, cetyltrimethylammonium tosylate, trimethylcetylammonium p-toluenesulfonate, Cetrimonium tosylate, 138-32-9, Hexadecyltrimethylammonium p-toluenesulfonate, UNII-1P489GK6AR, Hexadecyltrimethylammonium p-toluolsulfonate, N,N,N-Trimethylhexadecan-1-aminium 4-methylbenzenesulfonate, Cetyltrimethylammonium p-toluenesulfonate, cetyltrimethylammonium tosylate, 1P489GK6AR, MFCD00061383, cetats, Sterilene (TN), Cetrimonium tosilate, EINECS 205-324-8, cetrimonium p-tosylate, Trimethylcetylammonium p-toluenesulfonate, Hexadecyltrimethylammonium toluene-p-sulphonate, 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1), SCHEMBL121980, cetyl trimethyl ammonium tosylate, 1-Hexadecanaminium, N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1), ACM138329, Cetyl trimethyl ammonium p-toluene sulfonate, cetyltrimethylammonium para-toluene sulfonate, FT-0751270, D07673, C-47050, J-007118, N,N,N-Trimethyl-1-hexadecanaminium salt with 4-methylbenzenesulfonic acid, n,n,n-trimethyl-1-hexadecanaminiusaltwith4-methylbenzenesulfonicacid(1, N,N,N-Trimethyl-1-hexadecanaminium, salt with 4-methylbenzenesulfonic acid (1:1), C8147_SIGMA, C19H42N.C7H7O3S, CID9868636, cetyltrimethylammonium p-toluene sulfonate, C19-H42-N.C7-H7-O3-S, Hexadecyltrimethylammonium toluene- p- sulphonate,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	455.343g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	455.742g/mol
Monoisotopic Mass	455.343g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	65.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

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