(1E)-N-Isopropylethanimidic acid

Basic Information

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CAS Number

1118-69-0

Molecular Formula

C5H11NO

Molecular Weight

101.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

199.7°C at 760 mmHg

SMILES

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CC(C)NC(=O)C

InChI

InChI=1S/C5H11NO/c1-4(2)6-5(3)7/h4H,1-3H3,(H,6,7)

InChIKey

PDUSWJORWQPNRP-UHFFFAOYSA-N

LogP

0.5309000000000001

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

68.5

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

1118-69-0
N12028
Acetamide, N-isopropyl-
NSC 44147
NSC-44147
AMY3785
N-(propan-2-yl)acetamide
AKOS003726121
2-Aminopropane, N-acetyl-
N-ISOPROPYL ACETAMIDE
Q63398580
SCHEMBL13692
SY107538
DS-18194
Acetamide, N-isopropyl
A894683
2-Acetamidopropane
Isopropylamine, N-acetyl-
SCHEMBL11996363
N-Isopropylacetamide
BCP19527
InChI=1/C5H11NO/c1-4(2)6-5(3)7/h4H,1-3H3,(H,6,7
FT-0699778
NSC44147
acetamide, N-(1-methylethyl)-
MFCD00085718
N-(1-Methylethyl)ethanamide
n-isopropyl-acetamide
CS-M3536
DTXSID30149739
isopropylacetamide

MDL Number

MFCD00085718

FAQ

What are the physical and chemical properties of (1E)-N-Isopropylethanimidic acid (CAS: 1118-69-0)?

(1E)-N-Isopropylethanimidic acid is a colorless liquid with a pungent odor. Its molecular weight is approximately 117.18 g/mol. It is slightly soluble in water but miscible with common organic solvents. This compound is reactive with strong bases and acidic conditions. It is a useful intermediate in organic synthesis and pharmaceuticals.

How is (1E)-N-Isopropylethanimidic acid (CAS: 1118-69-0) typically synthesized?

(1E)-N-Isopropylethanimidic acid can be synthesized via the reaction of isopropylamine with ethyl acetoacetate. The reaction is typically carried out in the presence of a strong base like triethylamine to promote the nucleophilic attack and form the imidic acid product. Yields are generally good, and the product can be isolated by recrystallization or column chromatography.

What industries use (1E)-N-Isopropylethanimidic acid (CAS: 1118-69-0)?

(1E)-N-Isopropylethanimidic acid is primarily used in the pharmaceutical industry as a precursor for the synthesis of drug intermediates. It is also employed in the polymer industry for the production of certain polymers and in the semiconductor industry for use in etching solutions. Additionally, it finds use in sensor technology for specific chemical detection applications.

What precautions should be taken when handling (1E)-N-Isopropylethanimidic acid (CAS: 1118-69-0)?

When handling (1E)-N-Isopropylethanimidic acid, it is essential to wear appropriate personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled carefully; clean up with appropriate solvents and dispose of waste according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for specific safety information.