Benzyldimethyltetradecylammonium chloride

C₂₃H₄₂ClNCAS 139-08-2368.05 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₂₃H₄₂ClN
Molar mass: 368.05 g/mol
Exact mass: 367.3006 Da
Melting point: 63 °C
logP: 3.97Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 15

Hazards

Danger

H302 Harmful if swallowed98.9% of notifiers
H312 Harmful in contact with skin82.1% of notifiers
H314 Causes severe skin burns and eye damage94% of notifiers
H318 Causes serious eye damage43.1% of notifiers
H400 Very toxic to aquatic life88.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects32.4% of notifiers

Aggregated from 364 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

139-08-2

SMILES

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

InChIKey

OCBHHZMJRVXXQK-UHFFFAOYSA-M

InChI

InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

43 names · show all

Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride (1:1)
Ammonium, benzyldimethyltetradecyl-, chloride
Benzenemethanaminium, N,N-dimethyl-N-tetradecyl-, chloride
BTC 824P100
Dibactol
Dimethylbenzyltetradecylammonium chloride
Myristyldimethylbenzylammonium chloride
Tetradecyldimethylbenzylammonium chloride
Zephiramine
N-Benzyl-N,N-dimethylmyristylammonium chloride
Tetradecylbenzyldimethylammonium chloride
Quarton 14BCl
Sanibond 200LG
Dimethylbenzylmyristylammonium chloride
Barquat MS 100
N-Benzyl-N-tetradecyldimethylammonium chloride
Zephiramine chloride
N-Tetradecyl-N,N-dimethylbenzylammonium chloride
Benzyl(tetradecyl)dimethylammonium chloride
Sanisol M 100
N,N-Dimethyl-N-tetradecylbenzenemethanaminium chloride
Cation M 2-100
Nissan cation M 2-100
Querton 14BCL
14BCL
Arquad DM 14B90
M 2-100
Miristalkonium chloride
Myristalkonium chloride
Cyncal
N-Benzyl-N,N-dimethyltetradecylammonium chloride
Zeph
JAQ powdered quat
Zephyramine
Zephyramine (surfactant)
TDMBAC
Nissan cation M 2-100R
Cation M 2-100R
M 2-100R
Ammonyx
N-Tetradecyl-N-benzyl-N,N-dimethylammonium chloride
TDBAC
Myristyl benzyl dimethyl ammonium chloride

Work with Benzyldimethyltetradecylammonium 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

Cetalkonium chloride122-18-9100 % similar Stearalkonium chloride122-19-0100 % similar Benzyldodecyldimethylammonium chloride139-07-1100 % 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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