trihexylamine

• ChemBase ID: 74458
• Molecular Formular: C18H39N
• Molecular Mass: 269.50896
• Monoisotopic Mass: 269.30825025
• SMILES: N(CCCCCC)(CCCCCC)CCCCCC
• Canonical SMILES: CCCCCCN(CCCCCC)CCCCCC
• 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
• InChIKey: DIAIBWNEUYXDNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trihexylamine
• IUPAC Traditional name: 1-hexanamine, N,N-dihexyl-
• Synonyms: Trihexylamine; TRI-n-HEXYLAMINE; Tri-n-hexylamine; Tri(hex-1-yl)amine; 三己胺; 三正己胺

Database IDs

• CAS Number: 102-86-3
• EC Number: 203-062-9
• MDL Number: MFCD00009523
• Beilstein Number: 1755828
• PubChem SID: 24889581; 24889582; 162039377; 24851087
• PubChem CID: 66022

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3343782
• LogD (pH = 7.4): 3.669533
• Log P: 6.8292785
• Molar Refractivity: 89.2149 cm^3
• Polarizability: 35.506565 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: <-75°C
• Boiling Point: 150-159 °C/12 mmHg(lit.); 263-265 °C(lit.); 263-265°C; 263-265°C
• Flash Point: 113 °C; 113°C; 144°C(291°F); 235.4 °F
• Density: 0.794; 0.794 g/mL at 25 °C(lit.); 0.798
• Refractive Index: 1.4415; n20/D 1.442; n20/D 1.442(lit.)
• Vapor Pressure: <1 mmHg ( 20 °C)
• Vapor Density: 9.3 (vs air)

Safety Information

• Storage Warning: Harmful/Irritant
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 3082; UN3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 22-36/37/38-51/53; 22-36/38-51/53
• Safety Statements: 26-36/37-61; 26-36-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H411; H302-H315-H319-H411-H401
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: ≥95.0% (GC); ≥97.0% (GC); 96%; 97%
• Grade: purum; technical
• Linear Formula: [CH3(CH2)5]3N

DETAILS

MP Biomedicals - 05219336

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 183997

Packaging
25, 100 g in glass bottle