| CAS Number | 1870529-68-2 |
| Catalog Number | AG01DZ6E |
| Chemical Name | {1,7-dioxaspiro[4.5]decan-2-yl}methanamine |
| IUPAC Name | 1,9-dioxaspiro[4.5]decan-2-ylmethanamine |
| InChI | InChI=1S/C9H17NO2/c10-6-8-2-4-9(12-8)3-1-5-11-7-9/h8H,1-7,10H2 |
| InChI Key | GELBTJSBMKXIDF-UHFFFAOYSA-N |
| MDL Number | MFCD31690452 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | NCC1OC2(COCCC2)CC1 |
| Synonyms | {1,7-dioxaspiro[4.5]decan-2-yl}methanamine,
1870529-68-2,
|
| Complexity | 163 |
| 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 | 1 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number