3687-16-9

Basic information

• Product Name: propoctamine
• Synonyms: propoctamine;N,N''-Bis(2-ethylhexyl)-2-methyl-1,2,3-propanetriamine
• CAS NO: 3687-16-9
• Molecular Formula: C20H45 N3
• Molecular Weight: 327.59
• Mol File: 3687-16-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 410.8°Cat760mmHg
• Flash Point: 239.2°C
• Appearance: /
• Density: 0.86g/cm³
• Vapor Pressure: 5.86E-07mmHg at 25°C
• Refractive Index: 1.465
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 10.01±0.39(Predicted)
• CAS DataBase Reference: propoctamine(CAS DataBase Reference)
• NIST Chemistry Reference: propoctamine(3687-16-9)
• EPA Substance Registry System: propoctamine(3687-16-9)

Safety Data

• Hazardous Substances Data: 3687-16-9(Hazardous Substances Data)

Usage

Uses

N1,N3-Bis(2-ethylhexyl)-2-methyl-1,2,3-propanetriamine is a hydrolysis product usually found in preparations of the antimicrobial drug hexetidine.

InChI:InChI=1/C20H45N3/c1-6-10-12-18(8-3)14-22-16-20(5,21)17-23-15-19(9-4)13-11-7-2/h18-19,22-23H,6-17,21H2,1-5H3

Upstream product

• 141-94-6 hexetidine 
• 50-00-0 formaldehyd 
• 104-75-6 2-Ethylhexylamine 
• 79-24-3 Nitroethane 

Relevant articles and documents

Synthesis and structure elucidation of hexetidin degradation products

Hexetidin, a hexahydropyrimidine derivative is present in many pharmaceutical formulations and exhibits an antimicrobial effect against a broad spectrum of microorganism. The synthesis of three degradation products of hexetidin which occur in aqueous formulations is subject of this publication. The structure and identity of these products is proven by means of NMR and IR studies. The synthesis route to yield triamin, hexedin and dehydrohexetidin provides evidence for a previously published disproportion theory.

Analytical profile of purified hexetidine

Physico chemical, spectroscopic (UV, IR, NMR, mass), chromatographic (GLC, TLC) properties and synthesis of 1,3 bis(2 ethylhexyl) 5 amino 5 methyl hexahydropyrimidine (hexetidine) are reported and discussed. The difference between commercial and purified hexetidine is demonstrated.