Dodecyltrimethylammonium chloride

C₁₅H₃₄ClNCAS 112-00-5263.89 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₅H₃₄ClN
Molar mass: 263.89 g/mol
Exact mass: 263.2380 Da
Melting point: 37 °C
logP: 1.62Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 11

Hazards

Danger

H302 Harmful if swallowed87.2% of notifiers
H314 Causes severe skin burns and eye damage31.1% of notifiers
H315 Causes skin irritation64.1% of notifiers
H318 Causes serious eye damage28.8% of notifiers
H319 Causes serious eye irritation54% of notifiers
H335 May cause respiratory irritation30% of notifiers
H400 Very toxic to aquatic life80.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects27.9% of notifiers
H411 Toxic to aquatic life with long lasting effects10.1% of notifiers

Aggregated from 476 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

112-00-5

SMILES

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

InChIKey

DDXLVDQZPFLQMZ-UHFFFAOYSA-M

InChI

InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

53 names · show all

E 010077
1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)
Ammonium, dodecyltrimethyl-, chloride
1-Dodecanaminium, N,N,N-trimethyl-, chloride
Aliquat 4
Arquad 12D
Lauryltrimethylammonium chloride
Trimethyllaurylammonium chloride
Trimethyldodecylammonium chloride
n-Dodecyltrimethylammonium chloride
Arquad 12
Nissan cation BB
Alicop
Cation FB
Cation BB
Rewoquat B 18
Dehyquart LT
Redicote E 5
Nissan cation FB
Catiogen L
DTAC
Arquad 12-50
N-Dodecyl-N,N,N-trimethylammonium chloride
Monolauryltrimethylammonium chloride
N,N,N-Trimethyl-1-dodecanaminium chloride
Quartamin 24W
Laurtrimonium chloride
Arquad 12-33
Rhodaquat M 242C29
Swanol CA 2150
Adogen 412
Catinal LTC 35A
Nissan cation BB 300
Arquad 12-23
Arquad 12-37W
Radiaquat 6465
Arquad 12-25
CA 2150
Catiogen TML
I 0453
Lauryltrimonium chloride
Pionin B 111
Quartamin 24
Quartamin 24P
N-Lauryl-N,N,N-trimethylammonium chloride
N-Lauryltrimethylammonium chloride
Germicide 1231
Emal 60W
C12TAC
Cationic 1231
Cationic surfactant 1231
Lipoquad 12-37W
Fentacare 1231-37

Work with Dodecyltrimethylammonium 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.

Dodecyltrimethylammonium bromide1119-94-4Salt

Similar compounds

Caprylyltrimethylammonium chloride10108-86-8100 % similar Decyltrimethylammonium chloride10108-87-9100 % similar Cetrimonium chloride112-02-7100 % similar Stearyltrimethylammonium chloride112-03-8100 % similar Tetradecyltrimethylammonium chloride4574-04-3100 % similar Tetradecyltrimethylammonium bromide1119-97-774 % similar Octadecyltrimethylammonium bromide1120-02-174 % similar Decyltrimethylammonium bromide2082-84-074 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook