Ditetradecylamine

• CAS: 17361-44-3
• Catalog Number: ACM17361443
• Category: Main Products
• Molecular Weight: 409.8
• Molecular Formula: C28H59N
• Description: Diethyltetramine (DETA) is an organic compound that is used extensively in scientific research and laboratory experiments. It is a versatile compound that can be used for a variety of purposes, from synthesizing other compounds to studying biochemical and physiological effects.
• Synonyms: N-tetradecyltetradecan-1-amine
• IUPAC Name: N-tetradecyltetradecan-1-amine
• Canonical SMILES: CCCCCCCCCCCCCCNCCCCCCCCCCCCCC
• InChI: InChI=1S/C28H59N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3
• InChI Key: HSUGDXPUFCVGES-UHFFFAOYSA-N
• Boiling Point: 487.6ºC at 760 mmHg
• Flash Point: 170.9ºC
• Density: 0.82 g/mL
• Appearance: Solid
• Application: Ditetradecylamine finds applications in various industries. It is commonly used as an intermediate in the synthesis of surfactants, emulsifiers, and corrosion inhibitors. Due to its amphiphilic nature (having both hydrophobic and hydrophilic properties), it can act as a surface-active agent, reducing the surface tension of liquids and facilitating the mixing of immiscible substances.
• Storage: Store at 2-8 ℃
• EC Number: 241-389-9
• Exact Mass: 409.465
• Hazard Codes: Xi
• PSA: 12.03
• Refractive Index: 1.454
• Shipping: normal
• Vapor Pressure: 1.17E-09mmHg at 25°C
• XLogP3: 10.3691

Case Study

Ditetradecylamine for the Synthesis of Chelating Lipids (NTA3-DTDA)

Altin J G,et al. Australian journal of chemistry, 2006, 59(5): 302-306.

The membrane-penetrating and potent chelator 3-(nitrilotriaceticacid)-ditetradecylamine (NTA3-DTDA) is a very useful material in this regard. Ditetradecylamine can be used to synthesize the chelator NTA3-DTDA.
Synthesis of NTA3-DTDA from DTDA
· Reaction of the secondary amine 10 (DTDA) with succinic anhydride in the presence of triethylamine then afforded succinate 11 (42%).
· This then engaged in an EDAC·HCl-promoted coupling reaction with compound 8 so as to generate, in 72% yield, the TMSEprotected form, 12, of the final target.
· Exposure of compound 12 to neat TFA at 0-18◦C for 4 h then gave compound 1(NTA3-DTDA) in 92% yield and as a white solid with a broad melting range.

Custom Q&A

What is the IUPAC name of the compound with the molecular formula C28H59N?

The IUPAC name is N-tetradecyltetradecan-1-amine.

What is the InChIKey of the compound?

The InChIKey is HSUGDXPUFCVGES-UHFFFAOYSA-N.

What is the molecular weight of the compound?

The molecular weight is 409.8 g/mol.

How many hydrogen bond donor counts are there in the compound?

There is 1 hydrogen bond donor count.

What is the specific CAS number for the compound?

The CAS number is 17361-44-3.

How many rotatable bond counts are there in the compound?

There are 26 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 12Ų.

How many heavy atoms are present in the compound?

There are 29 heavy atoms present.

What is the complexity of the compound?

The complexity is 237.

Is the compound canonicalized?

Yes, the compound is canonicalized.