4,4'-Iminodi(1-butanol)

Basic Information

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CAS Number

79448-06-9

Molecular Formula

C8H19NO2

Molecular Weight

161.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

16-17 ºC

Boiling Point

240-250 ºC

Density

0.980±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

114.1±13.7 ºC,

Refractive Index

1.4798 (589.3 nm 18 ºC)

SMILES

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C(CCO)CNCCCCO

InChI

InChI=1S/C8H19NO2/c10-7-3-1-5-9-6-2-4-8-11/h9-11H,1-8H2

InChIKey

FTGIHCSSXPBYMX-UHFFFAOYSA-N

LogP

0.12099999999999961

Topological Polar Surface Area

52.489999999999995 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

61.1

Synonyms & References

English

1-Butanol, 4,4^-iminodi-
79448-06-9
DTXSID50229663
N,N-Bis(4-hydroxybutyl)amine
4-(4-hydroxybutylamino)butan-1-ol
CS-0012560
A11650
1-Butanol, 4,4'-iminobis-
FTGIHCSSXPBYMX-UHFFFAOYSA-N
SB76057
4,4'-Azanediylbis(butan-1-ol)
AKOS016005598
MFCD20661326
BS-17552
SCHEMBL140259
4,4'-Iminodi(1-butanol)
Dibutanolamine

MDL Number

MFCD20661326

FAQ

What are the physical and chemical properties of 4,4'-Iminodi(1-butanol) (CAS: 79448-06-9)?

4,4'-Iminodi(1-butanol) (CAS: 79448-06-9) is a colorless solid with a molecular weight of approximately 148.19 g/mol. It has a crystalline form and is slightly soluble in water but soluble in organic solvents like ethanol and acetone. This compound exhibits moderate reactivity, particularly towards nucleophiles and electrophiles. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 4,4'-Iminodi(1-butanol) (CAS: 79448-06-9) typically synthesized?

4,4'-Iminodi(1-butanol) (CAS: 79448-06-9) can be synthesized through the condensation reaction of 1-butanol with formaldehyde in the presence of an acid catalyst like sulfuric acid. The process involves the formation of an imine intermediate, followed by dehydration to yield the final product. The yield is typically around 80-85%, and the reaction is selective with good atom economy.

What industries use 4,4'-Iminodi(1-butanol) (CAS: 79448-06-9)?

4,4'-Iminodi(1-butanol) (CAS: 79448-06-9) is used in various industries, including pharmaceuticals for the synthesis of certain drug intermediates, polymers for modifying properties of plastics, and sensors for detecting specific chemical species. It also finds application in the semiconductor industry as a starting material for the production of photoresists.

What precautions should be taken when handling 4,4'-Iminodi(1-butanol) (CAS: 79448-06-9)?

When handling 4,4'-Iminodi(1-butanol) (CAS: 79448-06-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately, and the area should be well ventilated. Always refer to the safety data sheet (SDS) for detailed information on handling and emergency procedures.