chempirical

Hexylammonium chloride

C6H16ClNCAS 142-81-4137.65 g/mol

Open in Covalent MOL file
NH2HCl
Primary amine

Properties

Molecular formula
C6H16ClN
Molar mass
137.65 g/mol
Exact mass
137.0971 Da
Melting point
218–219 °C
logP
1.95Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

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
142-81-4
SMILES
CCCCCCN.Cl
InChIKey
XKDUZXVNQOZCFC-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N.ClH/c1-2-3-4-5-6-7;/h2-7H2,1H3;1H

Weigh it out

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

Names and synonyms

7 names
  • 1-Hexanamine, hydrochloride (1:1)
  • Hexylamine, hydrochloride
  • 1-Hexanamine, hydrochloride
  • n-Hexylammonium chloride
  • n-Hexylamine hydrochloride
  • 1-Hexylamine hydrochloride
  • 1-Aminohexane hydrochloride

Work with Hexylammonium 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

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.

Hexylamine111-26-2Free base

Similar compounds

Octadecylammonium chloride1838-08-0100 % similar Dodecylammonium chloride929-73-7100 % similar Heptylamine111-68-283 % similar Octylamine111-86-483 % similar Nonylamine112-20-983 % similar Dodecylamine124-22-183 % similar Octadecylamine124-30-183 % similar 1-Aminononadecane14130-05-383 % similar

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

Same formula

Triethylamine monohydrochloride554-68-7 1,3-Dimethylbutylamine hydrochloride71776-70-0 Diisopropylammonium chloride819-79-4

Elsewhere

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