TDTA

C22H50ClNO3SiCAS 41591-87-1440.18 g/mol

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N+SiOOOCl−
Quaternary ammoniumSilyl ether

Properties

Molecular formula
C22H50ClNO3Si
Molar mass
440.18 g/mol
Exact mass
439.3248 Da
Density
0.88 g/mL
logP
3.04Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
20

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 35 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number
41591-87-1
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-]
InChIKey
PHDAZHGCTGTQAS-UHFFFAOYSA-M
InChI
InChI=1S/C22H50NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-23(2,3)21-19-22-27(24-4,25-5)26-6;/h7-22H2,1-6H3;1H/q+1;/p-1

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Names and synonyms

10 names
  • 1-Tetradecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)
  • 1-Tetradecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride
  • Dimethyltetradecyl[3-(trimethoxysilyl)propyl]ammonium chloride
  • Tetradecyldimethyl(3-trimethoxysilylpropyl)ammonium chloride
  • Sanitized T 99-19
  • SIT 7090
  • 3-(Trimethoxysilyl)propyltetradecyldimethyl ammonium chloride
  • T 99-19
  • 3-(Trimethoxysilyl)propyl-N-tetradecyl-N,N-dimethylammonium chloride
  • Dimethyltetradecyl(3-(trimethoxysilyl)propyl)ammonium chloride

Work with TDTA

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

Dimethyloctadecyl(3-trimethoxysilylpropyl)ammonium chloride27668-52-6100 % similar Dimethyldioctadecylammonium chloride107-64-265 % similar Octyldecyldimethylammonium chloride32426-11-265 % similar Dilauryldimethylammonium chloride3401-74-965 % similar Dioctyldimethylammonium chloride5538-94-365 % similar Didecyldimethylammonium chloride7173-51-565 % similar 3-(Trihydroxysilyl)propyldimethyloctadecyl ammonium chloride199111-50-762 % similar Cetyl trimethoxysilane16415-12-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook