| CAS Number | 1157012-67-3 |
| Catalog Number | AG000GRN(AGN-PC-0WAMKN) |
| Chemical Name | 1H-Pyrazol-5-amine, 1-(tetrahydro-2H-pyran-4-yl)- |
| IUPAC Name | 2-(oxan-4-yl)pyrazol-3-amine |
| InChI | InChI=1S/C8H13N3O/c9-8-1-4-10-11(8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6,9H2 |
| InChI Key | IUFRCHDUNSOXBW-UHFFFAOYSA-N |
| MDL Number | MFCD12087781 |
| Molecular Formula | C8H13N3O |
| Molecular Weight | 167.2083 |
| SMILES | NC1=CC=NN1C2CCOCC2 |
| Synonyms | 1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-amine,
1157012-67-3,
SCHEMBL1983119,
KS-00000LRF,
IUFRCHDUNSOXBW-UHFFFAOYSA-N,
MFCD12087781,
ZINC36304756,
1-(oxan-4-yl)-1H-pyrazol-5-amine,
AKOS009623110,
AK411471,
DS-18696,
2-(Tetrahydropyran-4-yl)-2H-pyrazol-3-ylamine,
1H-Pyrazol-5-amine, 1-(tetrahydro-2H-pyran-4-yl)-,
F2185-0429,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.212g/mol |
| Monoisotopic Mass | 167.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number