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Butamben

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Identification
Molecular formula
C17H29NO4
CAS number
94-25-7
IUPAC name
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
State
State

This compound is a solid at room temperature, typically appearing as a fine powder that can be easily manipulated within its melting and boiling point ranges.

Melting point (Celsius)
78.00
Melting point (Kelvin)
351.15
Boiling point (Celsius)
285.00
Boiling point (Kelvin)
558.15
General information
Molecular weight
309.42g/mol
Molar mass
309.4040g/mol
Density
1.0470g/cm3
Appearence

Butamben is typically seen in a white, crystalline powder form. It is odourless and smooth to the touch, often used in mixtures that require a stable, non-volatile compound.

Comment on solubility

Solubility of 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate

The solubility of the compound 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate can be assessed based on several factors including its molecular structure and functional groups. Understanding the solubility is critical for various applications, such as pharmacology and formulation.

Factors Influencing Solubility:

  • Molecular Weight: The extensive ethoxy chain may contribute to a higher molecular weight, potentially affecting solubility in water.
  • Polarity: The presence of hydrophilic groups, such as the ethoxy and methoxy, suggests improved solubility in polar solvents.
  • Hydrogen Bonding: The compound's ability to engage in hydrogen bonding with solvents can enhance its solubility.
  • Structural Complexity: The branched alkyl group (butylamine) might introduce steric hindrance, influencing solubility behavior in various solvents.

In general, one might expect the compound to be more soluble in organic solvents due to its hydrophobic characteristics stemming from the butyl and ethoxy chains. However, an evaluation of experimental data is essential, noting that:

"Solubility is a critical parameter that directly influences the bioavailability and efficacy of compounds."

To summarize, while the specific solubility profile of 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate remains to be fully characterized, it is likely to exhibit moderate solubility in a range of organic solvents, with variable solubility in aqueous environments.

Interesting facts

Interesting Facts about 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate

This compound, with its complex structure consisting of multiple ethoxy groups, is a fascinating example of modern synthetic organic chemistry. Here are some intriguing aspects of this compound:

  • Manipulation of Chain Length: The presence of multiple ethoxy chains (€2-ethoxyethyl€) showcases how tweaking chain lengths in molecules can drastically affect their properties and reactivity.
  • Biological Significance: Compounds like this one are often explored in pharmaceutical chemistry for their potential therapeutic applications due to the butylamino group, which is often associated with biological activity.
  • Application in Material Science: The long aliphatic chains can enhance solubility and compatibility with various substrates, making it useful in developing new materials, especially in coatings and polymers.
  • Structural Complexity: The intricate structure allows for the exploration of phenomena such as self-assembly and molecular recognition, which are critical in drug delivery systems and nanotechnology.
  • Chirality Considerations: Many complex organic compounds exhibit chirality, leading to a need for enantiomeric purity in applications, especially in pharmaceuticals.

As the understanding of complex organic compounds evolves, the exploration of structures like 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate presents exciting opportunities for research and development across various fields of chemistry.

Synonyms
Benzonatate
104-31-4
Benzononatine
Tessalon
Benzononantin
Exangit
Ventussin
Benzonatatum
Benzonatato
Tessalon-ciba
Ventussin-loz
Tessalon Perles
Tessalin
Zonatuss
KM65
Benzonatatum [INN-Latin]
Benzonatato [INN-Spanish]
2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)benzoate
EINECS 203-194-7
2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate
NSC-760128
CHEBI:3032
Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester
DTXSID9022655
HSDB 7933
p-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester
nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate
Benzoic acid, 4-(butylamino)-, 2,5,8,11,14,17,20,23,26-nonaoxaoctacos-28-yl ester
5P4DHS6ENR
4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester
Benzonatate [USP:INN:BAN]
DTXCID902655
Benzoic acid, p-(butylamino)-, 2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl ester
Tesalon
p-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester
3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate
NSC 760128
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate
Benzonatate (MART.)
Benzonatate [MART.]
NCGC00016362-01
Benzonatate [USP-RS]
CAS-104-31-4
Benzonatatum (INN-Latin)
Benzonatato (INN-Spanish)
BENZONATATE (USP-RS)
Benzonatate (USP:INN:BAN)
BENZONATATE (USP MONOGRAPH)
BENZONATATE [USP MONOGRAPH]
3,6,9,12,15,18,21,24,27-Nonaoxaoctacosyl-4-butylaminobenzoate;3,6,9,12,15,18,21,24,27-Nonaoxaoctacosyl-4-butylaminobenzoate
Tessalon perles (TN)
Benzonatate (USP/INN)
Benzonatat
KM-65
2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl 4-butylaminobenzoate
p-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester [German]
Prestwick0_000012
Prestwick1_000012
Prestwick2_000012
Prestwick3_000012
SCHEMBL28366
BSPBio_000043
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
MLS002154171
SPBio_001964
BPBio1_000049
GTPL7611
CHEMBL1374379
R05DB01
HMS1568C05
HMS2095C05
HMS2230M19
HMS3373I11
HMS3712C05
Pharmakon1600-01503864
HY-B1551
Tox21_110398
NSC760128
3,6,9,12,15,18,21,24,27-Nonaoxaoctacos-1-yl 4-(butylamino)benzoate
AKOS015891366
Tox21_110398_1
CCG-213706
DB00868
NCGC00016362-02
NCGC00016362-03
NCGC00016362-05
DA-71391
MS-30648
SMR001233469
AB00513795
CS-0013413
NS00014318
D00242
AB00513795_06
EN300-19736044
SR-01000841197
Q2070778
SR-01000841197-2
BRD-K91699951-001-10-2
Nonaethyleneglycol-p-n-butylaminobenzoate methyl ester
3,6,9,12,15,18,21,24,27-Nonaoxaoctacos-1-yl 4-(butylamino)benzoate #
POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(4-(BUTYLAMINO)BENZOYL)-.OMEGA.-METHOXY-
203-194-7