| CAS Number | 1785761-76-3 |
| Catalog Number | AG00HZVF(AGN-PC-0WCV3U) |
| Chemical Name | 9-Benzyl-1-oxa-9-azaspiro[5.5]undecan-4-ol |
| IUPAC Name | 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-ol |
| InChI | InChI=1S/C16H23NO2/c18-15-6-11-19-16(12-15)7-9-17(10-8-16)13-14-4-2-1-3-5-14/h1-5,15,18H,6-13H2 |
| InChI Key | RLLPUQHBPAGCBP-UHFFFAOYSA-N |
| MDL Number | MFCD26792682 |
| Molecular Formula | C16H23NO2 |
| Molecular Weight | 261.3593 |
| SMILES | OC1CC2(CCN(CC3=CC=CC=C3)CC2)OCC1 |
| Synonyms | 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-ol,
1785761-76-3,
ALBB-026574,
ZX-AN025085,
MFCD26792682,
AKOS017259370,
FCH2897571,
T5691,
J3.613.186A,
9-Benzyl-1-oxa-9-azaspiro[5.5]undecane-4-ol,
1-oxa-9-azaspiro[5.5]undecan-4-ol, 9-(phenylmethyl)-,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.365g/mol |
| Monoisotopic Mass | 261.173g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number