1-(4-Pyridinylmethyl)guanidine

Basic Information

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CAS Number

45957-41-3

Molecular Formula

C7H10N4

Molecular Weight

150.19 g/mol

Chemical Classification

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

SMILES

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C1=CN=CC=C1CN=C(N)N

InChI

InChI=1S/C7H10N4/c8-7(9)11-5-6-1-3-10-4-2-6/h1-4H,5H2,(H4,8,9,11)

InChIKey

GBLIODJTYTUZIW-UHFFFAOYSA-N

LogP

0.06466999999999956

Topological Polar Surface Area

74.79 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

133

Synonyms & References

English

AKOS009145618
2-(pyridin-4-ylmethyl)guanidine
FT-0751221
SY340620
1-(4-Pyridylmethyl)guanidine
BB 0323262
MFCD08060001
N''-[(Pyridin-4-yl)methyl]guanidine
N-(Pyridin-4-ylmethyl)guanidine, AldrichCPR
N-(PYRIDIN-4-YLMETHYL)GUANIDINE
SCHEMBL10310272
CS-0268493
1-(pyridin-4-ylmethyl)guanidine
45957-41-3
EN300-125099
N-[(pyridin-4-yl)methyl]guanidine
DTXSID40555084
1-(Pyridin-4-ylmethyl)guanidine
N-(4-pyridinylmethyl)Guanidine
AC1Q4Z04
AGN-PC-00092F
Ambcb4015990
CTK4I9039
Guanidine,N-(4-pyridinylmethyl)-
MolPort-011-277-478
N-(pyridin-4-ylmethyl)guanidine(SALTDATA: 0.5H2SO4 0.4H2O)

MDL Number

MFCD08060001

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-(4-Pyridinylmethyl)guanidine (CAS: 45957-41-3)?

1-(4-Pyridinylmethyl)guanidine (CAS: 45957-41-3) is a white crystalline solid with a molecular weight of approximately 197.21 g/mol. It has a low solubility in water but is more soluble in polar organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). This compound is relatively stable under normal conditions but can react with strong acids or bases. It is used as an intermediate in the synthesis of various pharmaceuticals and is known for its ability to form stable complexes with metal ions.

How is 1-(4-Pyridinylmethyl)guanidine (CAS: 45957-41-3) typically synthesized?

1-(4-Pyridinylmethyl)guanidine is typically synthesized via the reaction of 4-pyridinemethylamine with guanidine hydrochloride in the presence of a suitable solvent like DMF. The reaction is catalyzed by a mild base and is known for its good yield and high selectivity. The process involves a nucleophilic substitution followed by an amidation reaction, leading to the formation of the desired product.

What industries use 1-(4-Pyridinylmethyl)guanidine (CAS: 45957-41-3)?

1-(4-Pyridinylmethyl)guanidine (CAS: 45957-41-3) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs with antiviral and anti-inflammatory properties. It is also utilized in the polymer industry for its ability to enhance the mechanical properties of polymers. Additionally, it finds applications in the development of sensors and as a component in the production of certain semiconductors.

What precautions should be taken when handling 1-(4-Pyridinylmethyl)guanidine (CAS: 45957-41-3)?

When handling 1-(4-Pyridinylmethyl)guanidine (CAS: 45957-41-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and sources of heat. In case of a spill, it should be cleaned up immediately using appropriate absorbents and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.