| CAS Number | 866615-27-2 |
| Catalog Number | AG019ES1(AGN-PC-03ZDFZ) |
| Chemical Name | 3-Benzyl-3-azabicyclo[3.3.1]nonan-9-ol |
| IUPAC Name | 3-benzyl-3-azabicyclo[3.3.1]nonan-9-ol |
| InChI | InChI=1S/C15H21NO/c17-15-13-7-4-8-14(15)11-16(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13-15,17H,4,7-11H2 |
| InChI Key | ACJRQBSQRDKBHB-UHFFFAOYSA-N |
| MDL Number | MFCD13806412 |
| Molecular Formula | C15H21NO |
| Molecular Weight | 231.3333 |
| SMILES | OC1C2CN(CC1CCC2)CC1=CC=CC=C1 |
| Synonyms | 3-benzyl-3-azabicyclo[3.3.1]nonan-9-ol,
866615-27-2,
1260230-73-6,
AC1Q79SG,
SCHEMBL694513,
CTK7J8294,
ACJRQBSQRDKBHB-UHFFFAOYSA-N,
AKOS023787688,
MCULE-2915850070,
NE35233,
N-benzyl-3-azabicyclo[3.3.1]nonane-9-ol,
EN300-71294,
Z234897399,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.339g/mol |
| Monoisotopic Mass | 231.162g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number