Cetalkonium chloride

C₂₅H₄₆ClNCAS 122-18-9396.10 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₂₅H₄₆ClN
Molar mass: 396.10 g/mol
Exact mass: 395.3319 Da
Melting point: 59 °C
logP: 4.75Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 17

Hazards

Danger

H302 Harmful if swallowed98.4% of notifiers
H312 Harmful in contact with skin77% of notifiers
H314 Causes severe skin burns and eye damage96% of notifiers
H318 Causes serious eye damage18.3% of notifiers
H400 Very toxic to aquatic life96.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects17.5% of notifiers

Aggregated from 126 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

122-18-9

SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]

InChIKey

SXPWTBGAZSPLHA-UHFFFAOYSA-M

InChI

InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

45 names · show all

Benzyl-n-hexadecyldimethylammonium chloride
Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride (1:1)
Benzylhexadecyldimethylammonium chloride
Ammonium, benzylhexadecyldimethyl-, chloride
Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride
Ammonyx G
Benzylcetyldimethylammonium chloride
Cetol
Cetyldimethylbenzylammonium chloride
Cetylon
Cetyl zephiran
Dimethylbenzylhexadecylammonium chloride
N-Hexadecyl-N-benzyl-N,N-dimethylammonium chloride
Hexadecyldimethylbenzylammonium chloride
n-Hexadecyldimethylbenzylammonium chloride
Pharycidin concentrate
Tetraseptan
Zettyn chloride
Hexadecylbenzyldimethylammonium chloride
Dimethylbenzylcetylammonium chloride
Acinol
Ammonyx T
Cetylbenzyldimethylammonium chloride
Benzyldimethylhexadecylammonium chloride
DMCBAC
Dehyquart CBB
N-Benzyl-N-cetyldimethylammonium chloride
Baktonium
Win 357
Banicol
Benzaletas
Bicetonium
Bonjela
Spilan
Dehyquart CDB
CDBAC
Benzyldimethylcetylammonium chloride
Querton 16BCL
Sanisol C
Acquat CDAC
Acetoquate CDAC
Zettyn
N-Hexadecyl-N,N-dimethyl-N-benzylammonium chloride
HBAC
N-Benzyl-N,N-dimethyl-N-hexadecylammonium chloride

Work with Cetalkonium chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Stearalkonium chloride122-19-0100 % similar Benzyldodecyldimethylammonium chloride139-07-1100 % similar Benzyldimethyltetradecylammonium chloride139-08-2100 % similar Benzalkonium chloride8001-54-5100 % similar Benzododecinium bromide7281-04-182 % similar Stearalkonium bentonite130501-87-067 % similar Benzyltributylammonium chloride23616-79-761 % similar Dimethyldioctadecylammonium chloride107-64-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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