Dihexylamine

C₁₂H₂₇NCAS 143-16-8185.35 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₂H₂₇N
Molar mass: 185.35 g/mol
Exact mass: 185.2143 Da
Density: 0.788 g/mL (at 20 °C)
Melting point: −13.1 °C
Boiling point: 236 °C
Flash point: 95 °C
Water solubility: < 1 g/L (26.1 °C)
logP: 3.74Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 10

Hazards

Danger

H300 Fatal if swallowed72.2% of notifiers
H302 Harmful if swallowed27.2% of notifiers
H310 Fatal in contact with skin72.8% of notifiers
H311 Toxic in contact with skin26.5% of notifiers
H314 Causes severe skin burns and eye damage99.3% of notifiers
H318 Causes serious eye damage70.2% of notifiers
H330 Fatal if inhaled69.5% of notifiers
H400 Very toxic to aquatic life96% of notifiers

Aggregated from 151 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

143-16-8

SMILES

CCCCCCNCCCCCC

InChIKey

PXSXRABJBXYMFT-UHFFFAOYSA-N

InChI

InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3

Weigh it out

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

Names and synonyms

7 names

1-Hexanamine, N-hexyl-
N-Hexyl-1-hexanamine
Di-n-hexylamine
N,N-Dihexylamine
N-Hexylhexanamine
Bis(1-hexyl)amine
NSC 7498

Work with Dihexylamine

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

Dioctylamine1120-48-5100 % similar Didecylamine1120-49-6100 % similar Ditetradecylamine17361-44-3100 % similar Diheptylamine2470-68-0100 % similar Didodecylamine3007-31-6100 % similar Dipentylamine2050-92-293 % similar Dibutylamine111-92-275 % similar N-Dodecyl-1,3-propanediamine5538-95-471 % similar

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

Same formula

Tributylamine102-82-9 Dimethyldecylamine1120-24-7 Dodecylamine124-22-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook