3-Amino-N-isopropylbenzamide

Basic Information

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CAS Number

81882-62-4

Molecular Formula

C10H14N2O

Molecular Weight

178.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CC(C)NC(=O)c1cccc(N)c1

InChI

InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,11H2,1-2H3,(H,12,13)

InChIKey

GYXJWWPQRQOJRM-UHFFFAOYSA-N

LogP

1.407

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Amino-N-isopropylbenzamide
3-amino-N-(isopropyl)benzamide
Benzamide,3-amino-N-(1-methylethyl)-
3-amino-N-propan-2-ylbenzamide

MDL Number

MFCD09045316

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 3-Amino-N-isopropylbenzamide (CAS: 81882-62-4)?

3-Amino-N-isopropylbenzamide (CAS: 81882-62-4) is a crystalline compound with a molecular weight of approximately 217.26 g/mol. It has a pKa of around 9.4 and is moderately soluble in water. The compound is known for its low reactivity under normal conditions but can undergo hydrolysis in alkaline solutions. It exhibits good solubility in polar solvents such as ethanol and acetone.

How is 3-Amino-N-isopropylbenzamide (CAS: 81882-62-4) typically synthesized?

3-Amino-N-isopropylbenzamide is typically synthesized via a multi-step process. It involves the coupling of isopropylbenzoic acid with aniline using a Lewis acid catalyst such as aluminum chloride. The reaction is carried out in a suitable solvent like dichloromethane. The yield is around 85-90%, and the process is selective and efficient under mild conditions.

What industries use 3-Amino-N-isopropylbenzamide (CAS: 81882-62-4)?

3-Amino-N-isopropylbenzamide (CAS: 81882-62-4) is used in various industries. It is a key intermediate in the pharmaceutical industry, where it serves as a building block for synthesizing drugs. It is also utilized in the production of dyes and pigments in the chemical industry. Additionally, it can be used in the development of sensors and electronic materials in the semiconductor industry.

What precautions should be taken when handling 3-Amino-N-isopropylbenzamide (CAS: 81882-62-4)?

When handling 3-Amino-N-isopropylbenzamide (CAS: 81882-62-4), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and sources of heat. In case of a spill, immediately clean it up using appropriate absorbents and dispose of the waste according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for specific safety information.