| CAS Number | 1330756-19-8 |
| Catalog Number | AG019YSO(AGN-PC-0WOD3Z) |
| Chemical Name | 1,9-dioxaspiro[5.5]undecan-4-amine |
| IUPAC Name | 1,9-dioxaspiro[5.5]undecan-4-amine |
| InChI | InChI=1S/C9H17NO2/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h8H,1-7,10H2 |
| InChI Key | PJWRZNHJMHNNFJ-UHFFFAOYSA-N |
| MDL Number | MFCD19651203 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | O1CCC(CC12CCOCC2)N |
| Synonyms | 1,9-dioxaspiro[5.5]undecan-4-amine,
1330756-19-8,
1,9-dioxaspiro[5.5]undec-4-ylamine,
AKOS013421959,
MCULE-5502274608,
Y-8095,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number