Guanidine, dodecyl-, monoacetate

Basic Information

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CAS Number

2439-10-3

Molecular Formula

C15H33N3O2

Molecular Weight

287.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

136 ºC

Boiling Point

429.73°C (rough estimate)

Refractive Index

1.6500 (estimate)

SMILES

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CC(=O)O.CCCCCCCCCCCCNC(=N)N

InChI

InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)

InChIKey

YIKWKLYQRFRGPM-UHFFFAOYSA-N

LogP

3.481270000000001

Topological Polar Surface Area

99.2 Å²

Hydrogen Bond Donor/Acceptor

5 / 5

Complexity

194

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H410

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LC50 in harlequin fish: 0.6 mg/l (Hourdakis)

Synonyms & References

English

dodine
dodecylguanidinium acetate
Dodecylguanidine monoacetate
Dodecylguanidine acetate
1-Dodecylguanidium acetate
Dodin
1-dodecylguanidinium acetate
ac5223
carpen
CYPREX
cytrex
DODENE
DODEX
doguadine
EFUZIN
Karpen
n-Dodecylguanidine acetate
N-dodecylguanidinium acetate
Syllit

MDL Number

MFCD00034998

Customs Code

2925290014

FAQ

What are the physical and chemical properties of Guanidine, dodecyl-, monoacetate (CAS: 2439-10-3)?

Guanidine, dodecyl-, monoacetate (CAS: 2439-10-3) is a white crystalline solid with a molecular weight of approximately 322.42 g/mol. It has a solubility of about 250 mg/mL in water and is soluble in organic solvents like acetone and dimethylformamide. The compound is moderately reactive, particularly with nucleophiles, and is prone to hydrolysis under basic conditions. It exhibits good solubility in water and is used in various applications due to its hydrophobic nature and reactivity.

How is Guanidine, dodecyl-, monoacetate (CAS: 2439-10-3) typically synthesized?

Guanidine, dodecyl-, monoacetate is typically synthesized by the acetylation of dodecylguanidine. This process involves reacting dodecylguanidine with acetic anhydride in the presence of a suitable catalyst such as pyridine. The reaction is carried out in a solvent like dichloromethane, and the yield is around 85-90%. The product is purified by recrystallization from a suitable solvent. This method ensures high selectivity and yield, making it a common approach in industrial synthesis.

What industries use Guanidine, dodecyl-, monoacetate (CAS: 2439-10-3)?

Guanidine, dodecyl-, monoacetate (CAS: 2439-10-3) is utilized in various industries, including pharmaceuticals, where it serves as a building block for drug synthesis, and in polymer science, where it is used as a modifier to enhance polymer properties. It is also found in the production of sensors and semiconductors, particularly in applications requiring its hydrophobic characteristics and reactivity.

What precautions should be taken when handling Guanidine, dodecyl-, monoacetate (CAS: 2439-10-3)?

When handling Guanidine, dodecyl-, monoacetate (CAS: 2439-10-3), it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local hazardous waste regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and safety precautions.