| CAS Number | 1955523-46-2 |
| Catalog Number | AG01B5ON |
| Chemical Name | 1-[(1s)-2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl]methanamine |
| IUPAC Name | (2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine |
| InChI | InChI=1S/C13H18N2/c14-10-13-6-12(7-13)9-15(13)8-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2 |
| InChI Key | JEDPMGPTUSZLSC-UHFFFAOYSA-N |
| MDL Number | MFCD30181166 |
| Molecular Formula | C13H18N2 |
| Molecular Weight | 202.2954 |
| SMILES | NC[C@]12N(C[C@H](C1)C2)CC1=CC=CC=C1 |
| Synonyms | {2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl}methanamine,
ZINC407985694,
1955523-46-2,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.301g/mol |
| Monoisotopic Mass | 202.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number