chempirical

Trihexylamine

C18H39NCAS 102-86-3269.52 g/mol

Open in Covalent MOL file
N
Tertiary amine

Properties

Molecular formula
C18H39N
Molar mass
269.52 g/mol
Exact mass
269.3083 Da
Boiling point
261.7 °C
logP
6.03Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
15

Identifiers

CAS number
102-86-3
SMILES
CCCCCCN(CCCCCC)CCCCCC
InChIKey
DIAIBWNEUYXDNL-UHFFFAOYSA-N
InChI
InChI=1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Hexanamine, N,N-dihexyl-
  • N,N-Dihexyl-1-hexanamine
  • Tri-n-hexylamine
  • NSC 409786

Work with Trihexylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tridodecylamine102-87-4100 % similar Trioctylamine1116-76-3100 % similar Triheptylamine2411-36-1100 % similar Tripentylamine621-77-293 % similar Tributylamine102-82-975 % similar Stearyldiethanolamine10213-78-271 % similar Lauryldiethanolamine1541-67-971 % similar N,N-Bis(3-aminopropyl)dodecylamine2372-82-971 % similar

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

Same formula

Dimethylhexadecylamine112-69-6 Octadecylamine124-30-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook