| CAS Number | 1339391-39-7 |
| Catalog Number | AG01B3ZF |
| Chemical Name | 1-(Oxan-4-yl)-1H-pyrazol-3-amine |
| IUPAC Name | 1-(oxan-4-yl)pyrazol-3-amine |
| InChI | InChI=1S/C8H13N3O/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10) |
| InChI Key | SINGMNYTTDSEPO-UHFFFAOYSA-N |
| MDL Number | MFCD19611488 |
| Molecular Formula | C8H13N3O |
| Molecular Weight | 167.2083 |
| SMILES | NC1=NN(C2CCOCC2)C=C1 |
| Synonyms | 1-(oxan-4-yl)-1H-pyrazol-3-amine,
1339391-39-7,
SCHEMBL17506671,
ZINC68955296,
AKOS013252949,
|
| 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
Certificate of Analysis
Lot Number