Trihexylamine
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
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction70.1% of notifiers
- H319 Causes serious eye irritation99.4% of notifiers
- H335 May cause respiratory irritation26% of notifiers
- H400 Very toxic to aquatic life70.1% of notifiers
- H410 Very toxic to aquatic life with long lasting effects70.1% of notifiers
- H411 Toxic to aquatic life with long lasting effects29.9% of notifiers
Aggregated from 154 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
102-86-3SMILES
CCCCCCN(CCCCCC)CCCCCCInChIKey
DIAIBWNEUYXDNL-UHFFFAOYSA-NInChI
InChI=1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3Weigh 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
1-Butylpyrrolidine767-10-281 % similar
Tributylamine102-82-975 % similar
Stearyldiethanolamine10213-78-271 % similar
Lauryldiethanolamine1541-67-971 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.