dioctylamine

• ChemBase ID: 74502
• Molecular Formular: C16H35N
• Molecular Mass: 241.4558
• Monoisotopic Mass: 241.27695013
• SMILES: N(CCCCCCCC)CCCCCCCC
• Canonical SMILES: CCCCCCCCNCCCCCCCC
• InChI: InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3
• InChIKey: LAWOZCWGWDVVSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioctylamine
• IUPAC Traditional name: 1-octanamine, N-octyl-
• Synonyms: N-(Oct-1-yl)octan-1-amine; Di(oct-1-yl)amine; Dioctylamine; Di-n-octylamine; Dioctylamine; 二正辛胺

Database IDs

• CAS Number: 1120-48-5
• EC Number: 214-311-6
• MDL Number: MFCD00009557
• Beilstein Number: 1748376
• PubChem SID: 24866538; 24893593; 162039421
• PubChem CID: 3094

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7736917
• LogD (pH = 7.4): 3.0198076
• Log P: 6.011469
• Molar Refractivity: 79.2486 cm^3
• Polarizability: 31.812483 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 13-15°C; 13-16 °C(lit.); 13-16°C
• Boiling Point: 297-298 °C(lit.); 297-298°C; 297-298°C
• Flash Point: >110 °C; >110°C; >230 °F; 142°C(287°F)
• Density: 0.799; 0.799 g/mL at 25 °C(lit.)
• Refractive Index: 1.4432; n20/D 1.4432(lit.)
• Vapor Pressure: 0.01 mmHg ( 20 °C)
• Vapor Density: 8.3 (vs air)

Safety Information

• Storage Warning: Corrosive/Harmful/Hygroscopic/Store under Argon
• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 22-34-50/53; 34
• Safety Statements: 26-36/37/39-45; 26-36/37/39-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H410; H302-H314-H410; H314-H318
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P310-P501; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 3

Product Information

• Purity: ≥97.0% (GC); 95+%; 98%
• Grade: purum
• Linear Formula: CH3(CH2)7NH(CH2)7CH3

DETAILS

Sigma Aldrich - D201146

Packaging
25, 100 g in glass bottle