Pendecamaine

Base Information

• Chemical Name: Pendecamaine
• CAS No.: 32954-43-1
• Deprecated CAS: 21244-99-5,68928-60-9,68928-60-9
• Molecular Formula: C₂₃H₄₆N₂O₃
• Molecular Weight: 398.63
• European Community (EC) Number: 251-306-8
• UNII: WP8C6WF33S
• DSSTox Substance ID: DTXSID3067734
• Wikidata: Q27292768
• NCI Thesaurus Code: C66338
• ChEMBL ID: CHEMBL2105283
• Mol file: 32954-43-1.mol

Synonyms:Pendecamaine;32954-43-1;Palmitamidopropyl betaine;Pendecamaina;Pendecamainum;2-[3-(hexadecanoylamino)propyl-dimethylazaniumyl]acetate;Pendecamaine [INN:BAN];2-(Dimethyl(3-palmitamidopropyl)ammonio)acetate;UNII-WP8C6WF33S;Pendecamainum [INN-Latin];Pendecamaina [INN-Spanish];WP8C6WF33S;3-Palmitoylamidopropyl betaine;EINECS 251-306-8;N-Palmitoylamidopropyl-N,N-dimethylbetaine;1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, inner salt;1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxohexadecyl)amino)-, inner salt;1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxohexadecyl)amino)-, hydroxide, inner salt;1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, hydroxide, inner salt;Pendecamaine [BAN:INN];PENDECAMAINE [INN];PENDECAMAINE [MART.];SCHEMBL144347;CHEMBL2105283;DTXSID3067734;C23H46N2O3;(Carboxymethyl)dimethyl(3-palmitamidopropyl)ammonium hydroxide inner salt;PALMITAMIDOPROPYL BETAINE [INCI];Q27292768;Ammonium, (carboxymethyl)dimethyl(3-palmitamidopropyl)-, hydroxide, inner salt;N-(Carboxymethyl)-N,N-dimethyl-3-((1-oxohexadecyl)amino)-1-propan- aminium hydroxide, inner salt

Chemical Property of Pendecamaine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 69.23000
• Density: g/cm³
• LogP: 4.19120
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 398.35084333
• Heavy Atom Count: 28
• Complexity: 392

Purity/Quality:

99% ^*data from raw suppliers

PalmitoylamidePropylbetaine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]
• Uses: Palmitoylamide Propylbetaine is an analog of Lauroylamide Betaine (L178620), used cosmetic and hair compositions of enhanced viscosity and clarity.

Technology Process of Pendecamaine

There total 2 articles about Pendecamaine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.32%

N-hexadecanoyl-N',N'-dimethyl-1,3-diaminopropane (39669-97-1) + sodium monochloroacetic acid (3926-62-3) → tegobetain (32954-43-1)

Guidance literature:

In water; isopropyl alcohol; at 80 ℃; for 6h; pH=7 - 8; Temperature;

Reference yield:

1-amino-3-(dimethylamino)propane (109-55-7) + 1-hexadecylcarboxylic acid (57-10-3) → tegobetain (32954-43-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 0.5 h / 80 °C

1.2: 11 h / 160 °C / Molecular sieve

2.1: water; isopropyl alcohol / 6 h / 80 °C / pH 7 - 8

In water; isopropyl alcohol;

upstream raw materials:

1-amino-3-(dimethylamino)propane

1-hexadecylcarboxylic acid

N-hexadecanoyl-N',N'-dimethyl-1,3-diaminopropane

sodium monochloroacetic acid

Refernces