Lot numbers can be found on the outside label of a product:
4-Methyl-1,2,5-oxadiazol-3-amine
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CAS No. 17647-70-0
- Cat. No. CS-0044955
- Purity≥97%
- MDL No.MFCD00186403
*For research and further manufacturing use only, not for direct human use.
Structure of 17647-70-0
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General Information
- CAS No. 17647-70-0
- Cat. No. CS-0044955
- Purity ≥97%
- MDL No. MFCD00186403
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₃H₅N₃O
- Molecular Weight 99.09
- Synonym(s) aminomethyl-furaza
- SMILES NC1=NON=C1C
Description
4-Methyl-1,2,5-oxadiazol-3-amine features a reactive oxadiazole ring with a pendant amine group, enabling direct incorporation into conjugation workflows. The methyl substitution enhances stability and solubility in polar solvents. This bench-stable heterocycle serves as a key building block for bioconjugates and functionalized polymers.
Application
4-Methyl-1,2,5-oxadiazol-3-amine serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through stable, functional group-tolerant transformations. Its oxadiazole core provides enhanced metabolic stability and favorable pharmacokinetic properties, while the amine functionality facilitates downstream derivatization via coupling reactions. Bench-stable and readily purified by standard techniques, it functions effectively in multi-step syntheses requiring precise regiocontrol and structural integrity.
Synthesis
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Route1
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In-stock
306-44-5 - ~81%
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In-stock
17647-70-0
References
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Sheremetev; Shamshina; Dmitriev Russian Chemical Bulletin, 2005 , vol. 54, # 4 p. 1032 - 1037
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Route2
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In-stock
1804-15-5 - ~63%
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In-stock
17647-70-0
References
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Vergizov, S. N.; Selivanov, S. I.; Mel'nikova, S. F.; Ershov, B. A.; Tselinskii, I. V. Journal of Organic Chemistry USSR (English Translation), 1988 , vol. 24, # 2 p. 374 - 377 Zhurnal Organicheskoi Khimii, 1988 , vol. 24, # 2 p. 423 - 426
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Route3
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137890-19-8 - ~44%
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In-stock
17647-70-0
References
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Andrianov, V. G.; Semenikhina, V. G.; Eremeev, A. V. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1991 , vol. 27, # 6 p. 651 - 656 Khimiya Geterotsiklicheskikh Soedinenii, 1991 , vol. 27, # 6 p. 827 - 832
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 64.94
- LogP -0.03978
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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