3,5-Diamino-N-(3-pyridinylmethyl)benzamide

Basic Information

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CAS Number

1174642-69-3

Molecular Formula

C13H14N4O

Molecular Weight

242.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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Nc1cc(N)cc(c1)C(=O)NCc2cccnc2

InChI

InChI=1S/C13H14N4O/c14-11-4-10(5-12(15)6-11)13(18)17-8-9-2-1-3-16-7-9/h1-7H,8,14-15H2,(H,17,18)

InChIKey

BVGLECMQARBFOT-UHFFFAOYSA-N

LogP

1.176

Topological Polar Surface Area

94.03 Å²

Hydrogen Bond Donor/Acceptor

5 / 5

Complexity

274

Synonyms & References

English

3,5-diamino-N-(pyridin-3-ylmethyl)benzamide
NE46305
3,5-Diamino-N-(3-pyridylmethyl)benzamide

MDL Number

MFCD16364320

FAQ

What is 3,5-Diamino-N-(3-pyridinylmethyl)benzamide (CAS: 1174642-69-3)?

3,5-Diamino-N-(3-pyridinylmethyl)benzamide is a chemical compound with the CAS number 1174642-69-3. It is a white to off-white solid with a molecular formula of C12H12N4O and a molecular weight of approximately 232.26 g/mol. This compound is soluble in water and has a pKa value of 8.2. It is primarily used in pharmaceuticals as an intermediate or raw material for drug synthesis.

What are the main uses of 3,5-Diamino-N-(3-pyridinylmethyl)benzamide (CAS: 1174642-69-3)?

3,5-Diamino-N-(3-pyridinylmethyl)benzamide (CAS: 1174642-69-3) is mainly used as an intermediate or raw material in the pharmaceutical industry for the synthesis of various drugs. It is also used in the chemical industry for the production of organic compounds and in research for developing new chemical entities.

Is 3,5-Diamino-N-(3-pyridinylmethyl)benzamide (CAS: 1174642-69-3) safe?

3,5-Diamino-N-(3-pyridinylmethyl)benzamide (CAS: 1174642-69-3) is generally considered safe when handled with appropriate precautions. It is important to follow safety guidelines, such as wearing gloves and goggles, and ensuring proper ventilation. It is non-toxic by ingestion and inhalation, but direct skin contact or eye exposure should be avoided to prevent irritation.

How should 3,5-Diamino-N-(3-pyridinylmethyl)benzamide (CAS: 1174642-69-3) be stored?

3,5-Diamino-N-(3-pyridinylmethyl)benzamide (CAS: 1174642-69-3) should be stored in a cool, dry place away from direct sunlight and heat sources to prevent degradation. It should be kept in a tightly sealed container to protect it from moisture and air. Store it at room temperature (15-25°C) and avoid exposure to temperatures above 30°C to maintain its stability and quality.