| CAS Number | 108437-46-3 |
| Catalog Number | AG00HB66(AGN-PC-03JRNW) |
| Chemical Name | 3,9-Diazabicyclo[4.2.1]nonane, 9-(phenylmethyl)- |
| IUPAC Name | 9-benzyl-3,9-diazabicyclo[4.2.1]nonane |
| InChI | InChI=1S/C14H20N2/c1-2-4-12(5-3-1)11-16-13-6-7-14(16)10-15-9-8-13/h1-5,13-15H,6-11H2 |
| InChI Key | WJNTXJZFBOWQPF-UHFFFAOYSA-N |
| MDL Number | MFCD12755867 |
| Molecular Formula | C14H20N2 |
| Molecular Weight | 216.3220 |
| SMILES | C(C1=CC=CC=C1)N1C2CNCCC1CC2 |
| Synonyms | 9-benzyl-3,9-diazabicyclo[4.2.1]nonane,
108437-46-3,
AC1Q28WZ,
SCHEMBL1988535,
CTK5J6299,
WJNTXJZFBOWQPF-UHFFFAOYSA-N,
AKOS005166908,
AB65749,
NE43014,
9benzyl-3,9-diazabicyclo-[4.2.1]-nonane,
EN300-89104,
9-(phenylmethyl)-3,9-Diazabicyclo[4.2.1]nonane,
3,9-Diazabicyclo[4.2.1]nonane, 9-(phenylmethyl)-,
F2147-1259,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.328g/mol |
| Monoisotopic Mass | 216.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number