chempirical

Stearalkonium chloride

C27H50ClNCAS 122-19-0424.15 g/mol

Open in Covalent MOL file
N+Cl−
Quaternary ammonium

Properties

Molecular formula
C27H50ClN
Molar mass
424.15 g/mol
Exact mass
423.3632 Da
Density
0.9 g/mL (at 60 °C)
Melting point
57 °C
Water solubility
< 1 g/L (21.1 °C)
logP
5.53Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
19

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 591 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
122-19-0
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey
SFVFIFLLYFPGHH-UHFFFAOYSA-M
InChI
InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1

Weigh it out

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Names and synonyms

62 names · show all
  • Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, chloride (1:1)
  • Ammonium, benzyldimethyloctadecyl-, chloride
  • Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, chloride
  • Benzyldimethyloctadecylammonium chloride
  • Ammonyx 4
  • Benzyldimethylstearylammonium chloride
  • Benzylstearyldimethylammonium chloride
  • Dimethylbenzyloctadecylammonium chloride
  • Dimethyloctadecylbenzylammonium chloride
  • N-Octadecyl-N-benzyl-N,N-dimethylammonium chloride
  • Octadecyldimethylbenzylammonium chloride
  • Quaternol 1
  • Stearyldimethylbenzylammonium chloride
  • Stebac
  • Stedbac
  • Triton X 400
  • Octadecylbenzyldimethylammonium chloride
  • 2B (Onium compound)
  • Intexsan SB 85
  • Ammonyx 490
  • Ammonyx 4002
  • Intexan SB 85
  • Triton X 40
  • Benzyloctadecyldimethylammonium chloride
  • Orthosan MB
  • Stearylbenzyldimethyl ammonium chloride
  • Triton CG 500
  • Triton CG 400
  • Dimethylstearylbenzylammonium chloride
  • Maquat SC 18
  • Nissan cation S2-100
  • 2B
  • Cation S (surfactant)
  • Larostat HTS 905
  • Alkaquat DMB-ST
  • Arquad DM 18B90
  • Incroquat SDQ 25
  • Mackernium SDC 25
  • Varisoft SDC 85
  • Swanol CA 1485
  • Mackernium SDC 85
  • Carsoquat SDQ 85
  • Carsoquat SDQ 25
  • SDQ 85
  • SDQ 25
  • Algene SC 25
  • Catinal OB 80E
  • Dodigen 1828
  • Varisoft SDC
  • Cation S 2-100
  • ODBAC 1827
  • Incroquat S 85
  • Pentonium SD 75
  • DC
  • Leveling agent 1827
  • DC (leveling agent)
  • N,N-Dimethyl-N-benzyl-N-octadecylammonium chloride
  • Tetranyl B 2MTH
  • Antistatic 1827
  • Surfactant 1827
  • Larostat 905
  • BAC 18

Work with Stearalkonium 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 Benzyldodecyldimethylammonium chloride139-07-1100 % similar Benzyldimethyltetradecylammonium chloride139-08-2100 % similar Benzododecinium bromide7281-04-182 % 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

Elsewhere

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