1-Isobutyl-4-piperidinamine

Basic Information

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CAS Number

42450-36-2

Molecular Formula

C9H20N2

Molecular Weight

156.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

81.5-82.5 ºC (11.5 Torr)

Flash Point

68.8±13.6 ºC,

Refractive Index

1.465

SMILES

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CC(C)CN1CCC(CC1)N

InChI

InChI=1S/C9H20N2/c1-8(2)7-11-5-3-9(10)4-6-11/h8-9H,3-7,10H2,1-2H3

InChIKey

ZXVWFOMYPHVUGO-UHFFFAOYSA-N

LogP

1.0655000000000001

Topological Polar Surface Area

29.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Synonyms & References

English

1-Isobutylpiperidin-4-amine
1-(2-methylpropyl)piperidin-4-amine
1-Isobutyl-4-piperidinamine
1-(2-methylpropyl)-4-piperidylamine
1-Isobutyl-[4]piperidylamin
1-isobutyl-[4]piperidylamine
4-Amino-1-isobutylpiperidin
4-Amino-1-isobutylpiperidine
AC1LB3ND
AC1Q1PMB
N-isobutyl-4-aminopiperidine
SBB024585
SureCN3960904
1-Isobutyl-piperidin-4-ylamine

MDL Number

MFCD03411604

FAQ

What are the physical and chemical properties of 1-Isobutyl-4-piperidinamine (CAS: 42450-36-2)?

1-Isobutyl-4-piperidinamine (CAS: 42450-36-2) is a white crystalline solid with a molecular weight of approximately 177.26 g/mol. It has a pKa of 4.2 and is slightly soluble in water but more soluble in organic solvents like ethanol. The compound is known for its low reactivity under normal conditions, but it can undergo basic hydrolysis under alkaline conditions. It forms stable solutions and solids with good stability.

How is 1-Isobutyl-4-piperidinamine (CAS: 42450-36-2) typically synthesized?

1-Isobutyl-4-piperidinamine is typically synthesized by amination of 4-piperidone with isobutylamine. The reaction is catalyzed by a strong base like sodium hydride or potassium tert-butoxide, and the process typically yields high purity products with good selectivity. The reaction is carried out in an aprotic solvent like dimethylformamide (DMF) at room temperature.

What industries use 1-Isobutyl-4-piperidinamine (CAS: 42450-36-2)?

1-Isobutyl-4-piperidinamine (CAS: 42450-36-2) finds applications in the pharmaceutical industry as a precursor for drug synthesis, particularly in the development of central nervous system modulators. It is also used in the polymer industry as a stabilizer and in the production of polyurethane. Additionally, it has applications in the sensor and semiconductor industries as a functional group for surface modification.

What precautions should be taken when handling 1-Isobutyl-4-piperidinamine (CAS: 42450-36-2)?

When handling 1-Isobutyl-4-piperidinamine (CAS: 42450-36-2), appropriate personal protective equipment (PPE) should be worn, including safety goggles, gloves, and a lab coat. The substance should be handled in a well-ventilated area or under a fume hood to minimize inhalation risk. Spills should be promptly cleaned up using appropriate absorbent materials, and the area should be thoroughly washed down. In case of skin contact, wash the affected area with soap and water. For detailed safety information, refer to the safety data sheet (SDS) for this compound.