| CAS Number | 1177358-28-9 |
| Catalog Number | AG01APIS(AGN-PC-0WCOEW) |
| Chemical Name | [5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl]methanamine |
| IUPAC Name | [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine |
| InChI | InChI=1S/C9H11N3O/c1-12-8(5-7(6-10)11-12)9-3-2-4-13-9/h2-5H,6,10H2,1H3 |
| InChI Key | KSJFYANVAAIXER-UHFFFAOYSA-N |
| MDL Number | MFCD10036205 |
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.2031 |
| SMILES | CN1C(C2OC=CC=2)=CC(CN)=N1 |
| Synonyms | C-(5-Furan-2-yl-1-methyl-1H-pyrazol-3-yl)-methylamine,
1177358-28-9,
[5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl]methanamine,
ZINC20270475,
AKOS006302213,
MCULE-7059194690,
L-3409,
F2198-0005,
[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanamine,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.207g/mol |
| Monoisotopic Mass | 177.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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