AG003EDV

6004-24-6 | Cetylpyridinium Chloride Monohydrate

AG003EDV

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CAS Number	6004-24-6
Catalog Number	AG003EDV(AGN-PC-0JKGEP)
Chemical Name	Cetylpyridinium Chloride Monohydrate
IUPAC Name	1-hexadecylpyridin-1-ium;chloride;hydrate
InChI	InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
InChI Key	NFCRBQADEGXVDL-UHFFFAOYSA-M
MDL Number	MFCD00149977
Molecular Formula	C21H40ClNO
Molecular Weight	358.0014
SMILES	CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[H]O[H].[Cl-]
UNII	D9OM4SK49P
Synonyms	6004-24-6, Cetylpyridinium chloride monohydrate, 1-hexadecylpyridin-1-ium chloride hydrate, 1-Hexadecylpyridinium chloride monohydrate, Hexadecylpyridinium chloride monohydrate, UNII-D9OM4SK49P, MFCD00149977, PYRIDINIUM, 1-HEXADECYL-, CHLORIDE, MONOHYDRATE, 1-cetylpyridinium chloride monohydrate, Cetylpyridinium (chloride monohydrate), D9OM4SK49P, Cetylpyridinii chloridum, CHEBI:3566, AK117191, 1-Hexadecylpyridinium chloride monohydrate, 96.0-101.0%, Sprol (TN), Cetylpyridinium chloride [INN:BAN:JAN], Cetylpyridinium chloride [USP:INN:BAN:JAN], ACMC-1B8PY, C21H40ClNO, SCHEMBL93923, KSC495A0D, MLS002207106, AC1L2K65, Cetylpyridinium chloride (USP), CHEMBL2003538, CTK3J5001, NFCRBQADEGXVDL-UHFFFAOYSA-M, HY-B1289, KS-00000FW7, ANW-42114, GA9566, 1-hexadecylpyridinium chloride hydrate, AKOS015892130, AKOS026749972, API0001943, Cetylpyridinium chloride hydrate (JAN), CS-4814, MP-2145, RTR-020785, TRA0080963, 1-hexadecylpyridin-1-ium;chloride;hydrate, H372, SMR001306716, 1-Hexadecyl-1-pyridinium Chloride Hydrate, AB0013014, AX8120538, DB-050356, LS-132593, ST2408783, TR-020785, (1-Hexadecyl)pyridinium chloride monohydrate, FT-0623577, 1-hexadecylpyridinium chloride--water (1/1), C11307, D01062, (1-Hexadecyl)pyridinium chloride monohydrate, 98%, I02-2644, cetylpyridinium chloride, Cepacol, Ceepryn, Cetyl pyridinium chloride, C21H38N.Cl.H2O, Cetylpyridiniumchloridemonohydrate, C21-H38-N.Cl.H2-O, 1-Cetylpyridiniumchlorid-Monohydrat, CID22324, 1-Hexadecylpyridiniumchlorid-1-Hydrat, Cetylpyridinium chloride [BAN:INN:JAN], Cetylpyridinium chloride monohydrate, 98% - 100G 100g, Cetyl Pyridinium Chloride 99% for synthesis Confirming USP 100gm,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	357.28g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	358.007g/mol
Monoisotopic Mass	357.28g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	4.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H318-H330-H335-H410
Packing Group	Ⅱ
Precautionary statements	P260-P273-P280-P284-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number