chempirical

Benzyltripropylammonium chloride

C16H28ClNCAS 5197-87-5269.86 g/mol

Open in Covalent MOL file
N+Cl−
Quaternary ammonium

Properties

Molecular formula
C16H28ClN
Molar mass
269.86 g/mol
Exact mass
269.1910 Da
logP
1.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5197-87-5
SMILES
CCC[N+](CCC)(CCC)CC1=CC=CC=C1.[Cl-]
InChIKey
YTRIOKYQEVFKGU-UHFFFAOYSA-M
InChI
InChI=1S/C16H28N.ClH/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;/h7-11H,4-6,12-15H2,1-3H3;1H/q+1;/p-1

Weigh it out

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Work with Benzyltripropylammonium 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

Benzyltributylammonium chloride23616-79-779 % similar Benzyl triethylammonium chloride56-37-166 % similar Benzyltributylammonium bromide25316-59-063 % similar Cetalkonium chloride122-18-956 % similar Stearalkonium chloride122-19-056 % similar Benzyldodecyldimethylammonium chloride139-07-156 % similar Benzyldimethyltetradecylammonium chloride139-08-256 % similar Benzalkonium chloride8001-54-556 % similar

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

Elsewhere

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