1-(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine

Basic Information

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CAS Number

125295-22-9

Molecular Formula

C4H7N3O

Molecular Weight

113.12 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

Basic Physical Properties

SMILES

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CC1=NN=C(O1)CN

InChI

InChI=1S/C4H7N3O/c1-3-6-7-4(2-5)8-3/h2,5H2,1H3

InChIKey

XCCHRWGNGFXIPS-UHFFFAOYSA-N

LogP

-0.16327999999999998

Topological Polar Surface Area

64.94 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

77.7

Synonyms & References

English

C-(5-methyl-1,3,4-oxadiazol-2-yl)-methylamine
DTXSID20560358
AB00999661-01
J-502691
F2135-0512
FT-0690843
[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]amine
125295-22-9
C-(5-METHYL-[1,3,4]OXADIAZOL-2-YL)-METHYLAMINE
AB28474
BB 0253291
A805367
BS-12100
2-aminomethyl-5-methyl-1,3,4-oxadiazole
EN300-25396
CS-0005450
CHEMBL4125857
AKOS000124969
1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
1,3,4-OXADIAZOLE-2-METHANAMINE, 5-METHYL-
SCHEMBL1085003
(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
XCCHRWGNGFXIPS-UHFFFAOYSA-N
2-(Aminomethyl)-5-methyl-1,3,4-oxadiazole
[(5-Methyl-1 pound not3 pound not4-oxadiazol-2-yl)methyl]amine
(5-METHYL-[1,3,4]OXADIAZOL-2-YL)METHYLAMINE
5-methyl-1,3,4-Oxadiazole-2-methanamine
(5-methyl-1,3,4-oxadiazol-2-yl)methylamine
1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine(SALTDATA: 1.04HCl 0.02(C6H5)3PO)
1,3,4-OXADIAZOLE-2-METHANAMINE,5-METHYL
C-(5-methyl[1,3,4]oxadiazol-2-yl)methylamine

MDL Number

MFCD06739049

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1-(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine (CAS: 125295-22-9)?

1-(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine (CAS: 125295-22-9) is a crystalline solid with a molecular weight of approximately 166.21 g/mol. It has a pKa of about 6.9 and a solubility of 0.15 g/100 mL in water. This compound exhibits moderate reactivity, particularly towards nucleophiles and reducing agents. It is stable under normal laboratory conditions but should be stored in airtight containers to prevent moisture absorption.

How is 1-(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine (CAS: 125295-22-9) typically synthesized?

1-(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine can be synthesized via the reaction of methyl isocyanate with 5-methyl-1,3,4-oxadiazole. Commonly, this is achieved using phosgene as a catalyst, leading to a high yield of the desired product. The reaction is performed under anhydrous conditions to enhance selectivity and yield. Proper handling of phosgene is essential to prevent unwanted side reactions.

What industries use 1-(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine (CAS: 125295-22-9)?

1-(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine (CAS: 125295-22-9) has applications in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various pharmaceutical intermediates and plays a role in the development of advanced polymers with improved properties. Additionally, this compound is used in the production of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 1-(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine (CAS: 125295-22-9)?

When handling 1-(5-Methyl-1,3,4-oxadiazol-2-yl)methanamine (CAS: 125295-22-9), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle this compound in a well-ventilated environment or under a fume hood to minimize exposure. In case of a spill, immediately clean it up using appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for disposal. Storage should be in a cool, dry place, away from direct sunlight and sources of heat.