3-Aminoisonicotinic acid hydrate (1:1)

Basic Information

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CAS Number

7529-20-6

Molecular Formula

C6H8N2O3

Molecular Weight

138.13 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

Basic Physical Properties

Melting Point

287-291ºC

SMILES

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C1=CN=CC(=C1C(=O)O)N

InChI

InChI=1S/C6H6N2O2.H2O/c7-5-3-8-2-1-4(5)6(9)10;/h1-3H,7H2,(H,9,10);1H2

InChIKey

VDYSSTUAODLUMK-UHFFFAOYSA-N

LogP

0.36200000000000004

Topological Polar Surface Area

76.21 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

138

Synonyms & References

English

3-Amino-4-pyridinecarboxylic acid
3-Aminopyridine-4-carboxylic acid, 95%
SMR000338494
AC-907/25000242
SCHEMBL535569
FT-0648899
4SV
A9601
3-Amino-4-pyridinecarboxylicacid
BCP27886
3-arninoisonicotinic acid
EN300-40529
MLS000736244
J-400348
4-Pyridinecarboxylic acid, 3-amino-
BCP09357
AC-2913
BB 0260163
3-Aminoisonicotinic acid
7529-20-6
3-aminoisonicotinoic acid
3-Aminoisonicotinicacid
3-Amino-4-Pyridine Carboxylic Acid
AM20070278
HY-65257
7579-20-6
Oprea1_716398
CS-D0792
SY003330
4K-902
A9626

MDL Number

MFCD29038844

FAQ

What are the physical and chemical properties of 3-Aminoisonicotinic acid hydrate (1:1) (CAS: 7529-20-6)?

3-Aminoisonicotinic acid hydrate (1:1) is a crystalline solid with a molecular weight of approximately 181.17 g/mol. It has a solubility of about 10 g/L in water at 20°C. The compound is moderately reactive, particularly in acidic conditions. It is stable under normal laboratory conditions but may degrade under strongly basic conditions.

How is 3-Aminoisonicotinic acid hydrate (1:1) (CAS: 7529-20-6) typically synthesized?

3-Aminoisonicotinic acid hydrate (1:1) is commonly synthesized by reacting nicotinic acid with primary amines in an aqueous medium. The reaction typically involves the use of ammonium hydroxide as a base, and the process yields a 1:1 hydrate with good selectivity. The yield is generally around 85-90%.

What industries use 3-Aminoisonicotinic acid hydrate (1:1) (CAS: 7529-20-6)?

3-Aminoisonicotinic acid hydrate (1:1) is utilized in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving nicotinamide derivatives. It is also used in the polymer industry for the modification of polymer properties, and in the sensor industry for developing sensitive detection systems.

What precautions should be taken when handling 3-Aminoisonicotinic acid hydrate (1:1) (CAS: 7529-20-6)?

When handling 3-Aminoisonicotinic acid hydrate (1:1), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Storage should be in a cool, dry place, away from direct sunlight. In case of spills, use appropriate spill kits and ensure the area is well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling instructions.