| CAS Number | 936940-68-0 |
| Catalog Number | AG00GVJK(AGN-PC-0WB3F7) |
| Chemical Name | 3-Methyl-4-pyrrolidin-2-YL-1,2,5-oxadiazole |
| IUPAC Name | 3-methyl-4-pyrrolidin-2-yl-1,2,5-oxadiazole |
| InChI | InChI=1S/C7H11N3O/c1-5-7(10-11-9-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3 |
| InChI Key | DIYORNGAPDTTKE-UHFFFAOYSA-N |
| MDL Number | MFCD09864281 |
| Molecular Formula | C7H11N3O |
| Molecular Weight | 153.1817 |
| SMILES | C1(C2CCCN2)C(C)=NON=1 |
| Synonyms | 936940-68-0,
3-METHYL-4-PYRROLIDIN-2-YL-1,2,5-OXADIAZOLE,
3-Methyl-4-(pyrrolidin-2-yl)-1,2,5-oxadiazole,
3-methyl-4-(2-pyrrolidinyl)-1,2,5-Oxadiazole,
CTK5H2833,
DTXSID30672390,
ZX-CM003404,
FCH836313,
MFCD09864281,
AKOS006282778,
DA-00716,
FT-0723604,
Y-5689,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.185g/mol |
| Monoisotopic Mass | 153.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number