methyl 3-aminobut-2-enoate

Basic Information

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CAS Number

14205-39-1

Molecular Formula

C5H9NO2

Molecular Weight

115.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

81-83 °C

Boiling Point

112°C 42mm

Solubility

18g/l

Refractive Index

1.4538 (estimate)

SMILES

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CC(=CC(=O)OC)N

InChI

InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3-

InChIKey

XKORCTIIRYKLLG-ARJAWSKDSA-N

LogP

0.02189999999999992

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

118

Safety Information

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GHS Hazard Pictograms

H302

H319

H330

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

Sensitiveness

Hygroscopic

Synonyms & References

English

Q-200361
methyl (Z)-3-aminobut-2-enoate
NCGC00253664-01
2-Butenoic acid, 3-amino-, methyl ester, (2Z)-
Methyl3-aminocrotonate
2-Butenoic acid, 3-amino-, methyl ester
14205-39-1
methyl 3-amino-crotonate
methyl beta-amino-crotonate
SCHEMBL62212
EN300-19128
(Z)-methyl 3-aminobut-2-enoate
Methyl 3-amino-2-butenoate
methyl 3-aminobut-2-enoate
CAS-14205-39-1
beta-Aminocrotonic acid methyl ester
Methyl-beta-aminocrotonate
R4X25GNG1J
methyl beta-aminocrotonate
DTXSID701245448
Tox21_113788
3-Amino-2-butenoic Acid Methyl Ester
METHYL-3-AMINOCROTONATE
XKORCTIIRYKLLG-ARJAWSKDSA-N
3-amino-crotonic acid methyl ester
AM20080319
UNII-R4X25GNG1J
Methyl (Z)-3-aminocrotonate
NSC 65444
(Z)-methyl-3-aminobut-2-enoate
(Z)-3-Amino-but-2-enoic acid methyl ester

MDL Number

MFCD00071534

Customs Code

29224995

FAQ

What is methyl 3-aminobut-2-enoate (CAS: 14205-39-1)?

Methyl 3-aminobut-2-enoate is a chemical compound with the CAS number 14205-39-1. It has the molecular formula C5H10NNaO2 and is commonly used in organic synthesis. This compound is a white to off-white solid at room temperature and is soluble in polar solvents. It contains an amino group and a carboxylic acid group, making it a versatile intermediate in pharmaceutical and chemical applications.

What are the main uses of methyl 3-aminobut-2-enoate (CAS: 14205-39-1)?

Methyl 3-aminobut-2-enoate is primarily used in pharmaceutical research as a building block for drug development. It serves as an intermediate in the synthesis of various bioactive compounds and has applications in the production of amino acid derivatives. In industrial settings, it is used in chemical manufacturing processes. Its utility also extends to research applications in organic chemistry and biochemistry.

Is methyl 3-aminobut-2-enoate (CAS: 14205-39-1) safe?

Methyl 3-aminobut-2-enoate is generally considered safe when handled properly. However, as with many chemical compounds, it should be treated with caution. Safety data sheets (SDS) recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. It is advisable to follow established safety standards and avoid direct contact with skin or inhalation of vapors to ensure safe handling.

How should methyl 3-aminobut-2-enoate (CAS: 14205-39-1) be stored?

Methyl 3-aminobut-2-enoate should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container at a temperature below 25°C to maintain stability. Avoid exposure to moisture and incompatible substances. Proper storage conditions help preserve its chemical integrity and ensure safe handling over time.