3-(N,N-Dimethylpalmitylammonio)Propanesulfonate

• CAS: 2281-11-0
• Catalog Number: ACM2281110
• Category: Anionic Surfactants

Custom Q&A

What is the molecular formula of the compound with PubChem CID 92176?

The molecular formula is C21H45NO3S.

What is the molecular weight of the compound?

The molecular weight is 391.7 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate.

What is the InChIKey of the compound?

The InChIKey is TUBRCQBRKJXJEA-UHFFFAOYSA-N.

What is the CAS number of the compound?

The CAS number is 2281-11-0.

What is the EC number of the compound?

The EC number is 218-918-7.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 7.2.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 18 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 1120-71-4
• 112-69-6

• 2281-11-0

Reference: [1] Journal of Surfactants and Detergents, 2011, vol. 14, # 1, p. 31 - 35
[2] Journal of Physical Chemistry, 1984, vol. 88, # 25, p. 6357 - 6362
[3] Journal of Surfactants and Detergents, 2016, vol. 19, # 4, p. 813 - 822
[4] New Journal of Chemistry, 2017, vol. 41, # 2, p. 447 - 451
[5] Patent: CN105949018, 2016, A, . Location in patent: Paragraph 0017; 0018

Upstream Synthesis Route 2

• 1120-71-4
• 112-69-6

• 2281-11-0

Reference: [1]Journal of Surfactants and Detergents,2011,vol. 14,p. 31 - 35
[2]Journal of Physical Chemistry,1984,vol. 88,p. 6357 - 6362
[3]Journal of Surfactants and Detergents,2016,vol. 19,p. 813 - 822
[4]New Journal of Chemistry,2017,vol. 41,p. 447 - 451
[5]Patent: CN105949018,2016,A .Location in patent: Paragraph 0017; 0018