1-(4-Methoxyphenyl)guanidine

Basic Information

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CAS Number

67453-80-9

Molecular Formula

C8H11N3O

Molecular Weight

165.2 g/mol

Basic Physical Properties

SMILES

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COC1=CC=C(C=C1)N=C(N)N

InChI

InChI=1S/C8H11N3O/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5H,1H3,(H4,9,10,11)

InChIKey

VGFALHATLLBXIT-UHFFFAOYSA-N

LogP

1.00057

Topological Polar Surface Area

71.13 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

158

Synonyms & References

English

SCHEMBL1186050
67453-80-9
PD129494
1N-amino(immino)methyl-4-methoxyaniline
CS-0454817
VGFALHATLLBXIT-UHFFFAOYSA-N
2-(4-methoxyphenyl)guanidine
BDBM50100969
CHEMBL297076
AMY27632
DTXSID50394385
N-(4-METHOXY-PHENYL)-GUANIDINE
N-(4-methoxyphenyl)guanidine
SY086771
MFCD04114642
112677-02-8
FT-0691243
SB38240
1-(4-Methoxyphenyl)guanidine
A835754
AKOS000266462
EN300-44068
Guanidine, (4-methoxyphenyl)-
N-(4-METHOXYPHENYL)GUANIDINE
(4-Methoxy-phenyl)-guanidin
(4-methoxy-phenyl)-guanidine
N-(p-methoxyphenyl)guanidine
p-methoxyphenylguanidine

MDL Number

MFCD04114642

FAQ

What are the physical and chemical properties of 1-(4-Methoxyphenyl)guanidine (CAS: 67453-80-9)?

1-(4-Methoxyphenyl)guanidine is a white crystalline solid with a molecular weight of approximately 188.18 g/mol. It has a solubility of about 400 mg/L in water. This compound is highly reactive, particularly with nucleophiles. It is stable under normal conditions but can decompose at high temperatures or under basic conditions.

How is 1-(4-Methoxyphenyl)guanidine (CAS: 67453-80-9) typically synthesized?

1-(4-Methoxyphenyl)guanidine is commonly synthesized through the reaction of 4-methoxybenzylamine with carbodiimide in the presence of a base. This method provides good yield and selectivity. The reaction involves the formation of an amide linkage and the removal of a carbodiimide derivative as a byproduct.

What industries use 1-(4-Methoxyphenyl)guanidine (CAS: 67453-80-9)?

1-(4-Methoxyphenyl)guanidine is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry as a stabilizer and in the development of sensors for detecting various chemicals. Additionally, it has applications in the semiconductor industry for specific purification processes.

What precautions should be taken when handling 1-(4-Methoxyphenyl)guanidine (CAS: 67453-80-9)?

When handling 1-(4-Methoxyphenyl)guanidine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbent materials, and contaminated waste should be disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.