(1Z)-N-(1,3-Diethoxy-1,3-dioxo-2-propanyl)ethanimidic acid

Basic Information

View in Editor

CAS Number

1068-90-2

Molecular Formula

C9H15NO5

Molecular Weight

217.22 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 Physical Properties

Melting Point

95.0 to 99.0 deg-C

Boiling Point

185 °C/20 mmHg

Water Solubility

Soluble in chloroform and methanol. Slightly soluble in water.

Flash Point

185℃/20mm

Refractive Index

1.4640 (estimate)

SMILES

View in Editor

CCOC(=O)C(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)

InChIKey

ISOLMABRZPQKOV-UHFFFAOYSA-N

LogP

-0.3826999999999998

Topological Polar Surface Area

81.7 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

233

Safety Information

View Safety Information

GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Propanedioic acid, (acetylamino)-, diethyl ester
SR-01000635034-1
EINECS 213-952-9
ACETAMIDOMALONIC ACID DIETHYL ESTER [HSDB]
Diethyl acetylaminomalonate
GEO-01032
F3098-5039
SCHEMBL81193
diethyl acetamido-malonate
D-2400
InChI=1/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11
2-(Acetylamino)propanedioic acid diethyl ester
Diethyl a-(acetylamino)malonate
BP-12339
NS00023432
HY-I1162
acetamido diethyl malonate
CHEMBL3278808
4VDX81E00W
SCHEMBL13410508
BCP26461
A15093
MFCD00009146
diethyl 2-acetamidopropanedioate
CCG-45254
Diethylester kyseliny acetylaminomalonove [Czech]
11G-367S
diethyl 2-acetylamino-malonate
Acetamidomalonic acid, diethyl ester
Diethyl (N-acetylamino)malonate
CBDivE_002969

MDL Number

MFCD00009146

Customs Code

2924199090

FAQ

What is (1Z)-N-(1,3-Diethoxy-1,3-dioxo-2-propanyl)ethanimidic acid (CAS: 1068-90-2)?

This compound, with the CAS number 1068-90-2, is a synthetic organic molecule characterized by its structure containing a urea group and a diethoxy-substituted dioxo-propanyl moiety. Its chemical formula is C11H16N2O6, and it exhibits typical properties of carbonyl compounds, including polarity and potential reactivity. It is commonly used as an intermediate in chemical synthesis due to its functional group versatility.

What are the main uses of (1Z)-N-(1,3-Diethoxy-1,3-dioxo-2-propanyl)ethanimidic acid (CAS: 1068-90-2)?

The primary applications of this compound (CAS: 1068-90-2) include pharmaceutical research, where it serves as a building block for drug development, and industrial processes involving organic synthesis. It is also utilized in laboratory settings for creating derivatives and in specialized chemical manufacturing. While not approved for food or consumer use, it may find niche applications in polymer science or as a reagent in chemical reactions.

Is (1Z)-N-(1,3-Diethoxy-1,3-dioxo-2-propanyl)ethanimidic acid (CAS: 1068-90-2) safe?

Safety of this compound (CAS: 1068-90-2) depends on handling conditions. It is generally considered safe in controlled laboratory environments but requires precautions such as wearing gloves, goggles, and a lab coat to avoid skin or respiratory exposure. Safety data sheets (SDS) should be consulted for specific guidelines, and it is not classified as safe for direct human consumption or use in food-related applications.

How should (1Z)-N-(1,3-Diethoxy-1,3-dioxo-2-propanyl)ethanimidic acid (CAS: 1068-90-2) be stored?

This compound (CAS: 1068-90-2) should be stored in a cool, dry place at temperatures below 25°C, with humidity levels maintained under 60%. It is sensitive to light, so storage in a dark, sealed container is recommended. Ensure proper ventilation and avoid contact with incompatible materials to preserve stability and prevent degradation.