| CAS Number | 1820642-31-6 |
| Catalog Number | AG00I0NB(AGN-PC-0WQZ54) |
| Chemical Name | 1-(Oxan-2-yl)pyrazole-5-methanamine |
| IUPAC Name | [2-(oxan-2-yl)pyrazol-3-yl]methanamine |
| InChI | InChI=1S/C9H15N3O/c10-7-8-4-5-11-12(8)9-3-1-2-6-13-9/h4-5,9H,1-3,6-7,10H2 |
| InChI Key | JRAVVMHGQVQNIQ-UHFFFAOYSA-N |
| MDL Number | MFCD27935486 |
| Molecular Formula | C9H15N3O |
| Molecular Weight | 181.2349 |
| SMILES | NCC1N(C2OCCCC2)N=CC=1 |
| Synonyms | 1-(Oxan-2-yl)pyrazole-5-methanamine,
1820642-31-6,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.121512g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.23g/mol |
| Monoisotopic Mass | 181.121512g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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