4-(Isopropylamino)butanol

Basic Information

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CAS Number

42042-71-7

Molecular Formula

C7H17NO

Molecular Weight

131.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

85°C/1mmHg

Flash Point

56.2±13.3 ºC,

Refractive Index

1.4512 (589.3 nm)

SMILES

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CC(C)NCCCCO

InChI

InChI=1S/C7H17NO/c1-7(2)8-5-3-4-6-9/h7-9H,3-6H2,1-2H3

InChIKey

IPLWOCGPIGUXOR-UHFFFAOYSA-N

LogP

0.7568999999999997

Topological Polar Surface Area

32.26 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

54.9

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4-(propan-2-ylamino)butan-1-ol
4-(Isopropylamino)butanol
4-hydroxy-N-isopropylbutan-1-amine
1-Isopropylamino-butanol-(4)
CTK8B1673
4-(isopropylamino)-1-butanol
4-Isopropylamino-butanol-(1)
I14-56471
(4-Hydroxybutyl)isopropylamin
4-isopropylamino-butanol
I0756
ACMC-209jn2
AGN-PC-00K7XO
ANW-29724
(1S,3S)-1-(Hydroxymethyl)-3-(tritylamino)cyclopentanol
NULL
4-[(Propan-2-yl)amino]butan-1-ol
4-(isopropyl amino)butan-1-ol
4-hydroxy-N-isopropylbutylamine
IPLWOCGPIGUXOR-UHFFFAOYSA-N
BCP16963
AK176307
DTXSID70513753
DS-9159
AKOS005302345
MFCD14708173
F10470
4-[(1-Methylethyl)amino]-1-butanol
DB-123102
EN300-862632
SXN9KU5QB5

MDL Number

MFCD14708173

FAQ

What are the physical and chemical properties of 4-(Isopropylamino)butanol (CAS: 42042-71-7)?

4-(Isopropylamino)butanol (CAS: 42042-71-7) is a colorless, flammable liquid with a molecular weight of approximately 136.23 g/mol. It has a pKa of 9.2 and is moderately soluble in water but has good solubility in organic solvents. The compound is relatively stable but can react with strong acids or bases. It crystallizes in the form of white crystals with a melting point of 42-43°C.

How is 4-(Isopropylamino)butanol (CAS: 42042-71-7) typically synthesized?

4-(Isopropylamino)butanol (CAS: 42042-71-7) is typically synthesized via the reaction of isopropanol and ammonia, followed by reduction. Common methods include the use of sodium borohydride or lithium aluminum hydride as reducing agents. The process yields a mixture that can be purified by distillation or recrystallization.

What industries use 4-(Isopropylamino)butanol (CAS: 42042-71-7)?

4-(Isopropylamino)butanol (CAS: 42042-71-7) is used in pharmaceuticals for the production of certain medications, in polymers as a monomer, and in the production of sensors and semiconductors for electronic devices. Its chemical properties make it suitable for these applications due to its solubility and reactivity.

What precautions should be taken when handling 4-(Isopropylamino)butanol (CAS: 42042-71-7)?

When handling 4-(Isopropylamino)butanol (CAS: 42042-71-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area away from heat and ignition sources. Fume hoods should be used during handling. In case of a spill, follow standard spill procedures and consult the Safety Data Sheet (SDS) for detailed instructions.