| CAS Number | 1281872-56-7 |
| Catalog Number | AG00HRRT(AGN-PC-0WAZ7V) |
| Chemical Name | tert-Butyl 9-(aminomethyl)-3-azaspiro[5.5]undecane-3-carboxylate |
| IUPAC Name | tert-butyl 9-(aminomethyl)-3-azaspiro[5.5]undecane-3-carboxylate |
| InChI | InChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-10-8-16(9-11-18)6-4-13(12-17)5-7-16/h13H,4-12,17H2,1-3H3 |
| InChI Key | NSZCNVGJAYJIFY-UHFFFAOYSA-N |
| MDL Number | MFCD18651791 |
| Molecular Formula | C16H30N2O2 |
| Molecular Weight | 282.4216 |
| SMILES | NCC1CCC2(CCN(CC2)C(=O)OC(C)(C)C)CC1 |
| Synonyms | 1281872-56-7,
tert-butyl 9-(aminomethyl)-3-azaspiro[5.5]undecane-3-carboxylate,
tert-Butyl 9-(aminomethyl)-3-azaspiro-[5.5]undecane-3-carboxylate,
KS-000024CY,
MFCD18651791,
ZINC72120023,
AKOS015993911,
DE-0207,
MCULE-2797249762,
SB11084,
CS-0055418,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.428g/mol |
| Monoisotopic Mass | 282.231g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number