| CAS Number | 1820706-21-5 |
| Catalog Number | AG01AMSY |
| Chemical Name | 2-(1-Methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride |
| IUPAC Name | 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride |
| InChI | InChI=1S/C9H15N3O.2ClH/c1-12-6-7(5-11-12)9-4-8(10)2-3-13-9;;/h5-6,8-9H,2-4,10H2,1H3;2*1H |
| InChI Key | ANUFBLFWRCDFSK-UHFFFAOYSA-N |
| MDL Number | MFCD29034003 |
| Molecular Formula | C9H17Cl2N3O |
| Molecular Weight | 254.1568 |
| SMILES | Cl.Cl.CN1N=CC(C2OCCC(N)C2)=C1 |
| Synonyms | 1820706-21-5,
2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride,
Z2217033026,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.155g/mol |
| Monoisotopic Mass | 253.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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