| CAS Number | 1018603-76-3 |
| Catalog Number | AG01A4ZG(AGN-PC-0WO337) |
| Chemical Name | {1,4,8-trioxaspiro[4.5]decan-2-yl}methanamine |
| IUPAC Name | 1,4,8-trioxaspiro[4.5]decan-3-ylmethanamine |
| InChI | InChI=1S/C8H15NO3/c9-5-7-6-11-8(12-7)1-3-10-4-2-8/h7H,1-6,9H2 |
| InChI Key | MIMPOMSJCKJTOK-UHFFFAOYSA-N |
| MDL Number | MFCD10032751 |
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.2096 |
| SMILES | NCC1OC2(CCOCC2)OC1 |
| Synonyms | 1,4,8-trioxaspiro[4.5]decan-2-ylmethanamine,
1018603-76-3,
(1,4,8-Trioxaspiro[4.5]decan-2-yl)methanamine,
{1,4,8-trioxaspiro[4.5]decan-2-yl}methanamine,
AKOS006303585,
MCULE-7261969915,
NE14752,
Z1623877837,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.212g/mol |
| Monoisotopic Mass | 173.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number