Benzyldodecyldimethylammonium chloride

C₂₁H₃₈ClNCAS 139-07-1339.99 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₂₁H₃₈ClN
Molar mass: 339.99 g/mol
Exact mass: 339.2693 Da
Melting point: 42 °C
logP: 3.19Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 13

Hazards

Danger

H302+H312 Harmful if swallowed or in contact with skin33.2% of notifiers
H302 Harmful if swallowed99.7% of notifiers
H312 Harmful in contact with skin83.7% of notifiers
H314 Causes severe skin burns and eye damage98.7% of notifiers
H318 Causes serious eye damage56.9% of notifiers
H400 Very toxic to aquatic life95.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects36.1% of notifiers

Aggregated from 313 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

139-07-1

SMILES

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

InChIKey

JBIROUFYLSSYDX-UHFFFAOYSA-M

InChI

InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

58 names · show all

Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1)
Ammonium, benzyldodecyldimethyl-, chloride
Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride
Bas 2631
Benzododecinium chloride
Catigene OM
Dimethylbenzyldodecylammonium chloride
Dodecylbenzyldimethylammonium chloride
Dodecyldimethylbenzylammonium chloride
Lauryldimethylbenzylammonium chloride
Noramium DA 50
Vantoc CL
N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride
Benzyldimethyllaurylammonium chloride
Benzyllauryldimethylammonium chloride
Dimethyldodecylbenzylammonium chloride
Lauryl benzalkonium chloride
Laurylbenzyldimethylammonium chloride
Cequartyl A
Benzyldimethyldodecylammonium chloride
Dimethylbenzyllaurylammonium chloride
Dehyquart LDB
N-Benzyl-N-dodecyl-N,N-dimethylammonium chloride
N-Dodecyl-N,N-dimethyl-N-benzylammonium chloride
DYK 1125
Catiolite BC 50
Swanol CA 100
Dimethylaurylbenzylammonium chloride
Rolcril
Orthosan HM
Zephirol
Swanol CA 101
Dimethyllaurylbenzylammonium chloride
Rewoquat B 50
Tetranil BC 80
Catiogen PAN
Loraquat B 50
Retarder N
Catinal CB 50
Texnol R 5
QBA 1211
Lauralkonium chloride
Katamin AB 18
Croda N-dodecyl
Cationic 1227
Leveling agent 1227
Pionin B 231
N-Lauryl-N,N-dimethyl-N-benzylammonium chloride
Catiogen BC 50
Accelerator 1227
Surfactant 1227
BenzylQUAT?
Germicide 1227
BAC 12
Cationic surfactant 1227
BTC 1218-50
D 1227
QBA 1211S

Work with Benzyldodecyldimethylammonium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzododecinium bromide7281-04-1Salt

Similar compounds

Cetalkonium chloride122-18-9100 % similar Stearalkonium chloride122-19-0100 % similar Benzyldimethyltetradecylammonium chloride139-08-2100 % similar Benzalkonium chloride8001-54-5100 % similar Stearalkonium bentonite130501-87-067 % similar Benzyltributylammonium chloride23616-79-761 % similar Dimethyldioctadecylammonium chloride107-64-259 % similar Octyldecyldimethylammonium chloride32426-11-259 % similar

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

Same formula

Cetylpyridinium chloride123-03-5

Elsewhere

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