| CAS Number | 1188264-16-5 |
| Catalog Number | AG00972D(AGN-PC-0PCHZ7) |
| Chemical Name | tert-Butyl 3-(1H-pyrazol-3-yl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-8-4-5-10(9-16)11-6-7-14-15-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,15) |
| InChI Key | RNKABFNMJPBYKN-UHFFFAOYSA-N |
| MDL Number | MFCD13152063 |
| Molecular Formula | C13H21N3O2 |
| Molecular Weight | 251.3247 |
| SMILES | O=C(N1CC(C2=NNC=C2)CCC1)OC(C)(C)C |
| Synonyms | tert-Butyl 3-(1H-pyrazol-3-yl)piperidine-1-carboxylate,
1188264-16-5,
tert-butyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate,
RNKABFNMJPBYKN-UHFFFAOYSA-N,
SCHEMBL2731598,
SCHEMBL9986456,
DTXSID80734654,
AKOS013099235,
AB66541,
DS-4892,
AX8160576,
1-Piperidinecarboxylicacid, 3-(1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester,
N/A,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.33g/mol |
| Monoisotopic Mass | 251.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number