| CAS Number | 476629-86-4 |
| Catalog Number | AG006ZQZ(AGN-PC-0OAMO5) |
| Chemical Name | 3-cyclobutyl-1H-pyrazole |
| IUPAC Name | 5-cyclobutyl-1H-pyrazole |
| InChI | InChI=1S/C7H10N2/c1-2-6(3-1)7-4-5-8-9-7/h4-6H,1-3H2,(H,8,9) |
| InChI Key | HLPBQDVLMHJKRN-UHFFFAOYSA-N |
| MDL Number | MFCD21601708 |
| Molecular Formula | C7H10N2 |
| Molecular Weight | 122.1677 |
| SMILES | C1(C2CCC2)=NNC=C1 |
| Synonyms | 476629-86-4,
3-CYCLOBUTYL-1H-PYRAZOLE,
1H-Pyrazole, 3-cyclobutyl-,
3-cyclobutylpyrazolyl,
SCHEMBL2633370,
SCHEMBL18930060,
CTK1D1623,
DTXSID60477719,
ZINC38857329,
5-cyclobutyl-1H-pyrazole,
|
| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.171g/mol |
| Monoisotopic Mass | 122.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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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H302-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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number