chempirical

Benzyltrimethylammonium hydroxide

C10H17NOCAS 100-85-6167.25 g/mol

Open in Covalent MOL file
N+HO−
Quaternary ammonium

Properties

Molecular formula
C10H17NO
Molar mass
167.25 g/mol
Exact mass
167.1310 Da
Melting point
80 °C
logP
1.72Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
100-85-6
SMILES
C[N+](C)(C)Cc1ccccc1.[OH-]
InChIKey
NDKBVBUGCNGSJJ-UHFFFAOYSA-M
InChI
InChI=1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1

Weigh it out

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

Names and synonyms

10 names
  • Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1)
  • Ammonium, benzyltrimethyl-, hydroxide
  • Benzenemethanaminium, N,N,N-trimethyl-, hydroxide
  • Triton B
  • Trimethylbenzylammonium hydroxide
  • N-Benzyltrimethylammonium hydroxide
  • Sumquat 2311
  • N,N,N-Trimethylbenzenemethanaminium hydroxide
  • BTMAH 40
  • N,N,N-Trimethyl-N-benzylammonium hydroxide

Work with Benzyltrimethylammonium hydroxide

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.

Benzyltrimethylammonium chloride56-93-9Salt Benzyltrimethylammonium bromide5350-41-4Salt Benzyltrimethylammonium dichloroiodate114971-52-7Salt Benzyltrimethylammonium iodide4525-46-6Salt Benzyltrimethylammonium tribromide111865-47-5Salt

Similar compounds

Benzyltriethylammonium hydroxide1836-42-657 % similar Trimethylphenylammonium hydroxide1899-02-144 % similar Benzyltriethylammonium bromide5197-95-542 % similar Benzyl triethylammonium chloride56-37-142 % similar Benzyltripropylammonium chloride5197-87-539 % similar Bibenzyl103-29-739 % similar Ethylbenzene100-41-438 % similar Benzyltriethylammonium tetrafluoroborate77794-93-538 % similar

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

Same formula

(+)-Camphor oxime2792-42-9 1-Morpholinocyclohexene670-80-4 N-Cyclohexyl-2-pyrrolidone6837-24-7 3-Amino-1-adamantanol702-82-9

Elsewhere

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