| CAS Number | 2031260-91-8 |
| Catalog Number | AG01B79B |
| Chemical Name | (1r)-1-phenyl-2-azabicyclo[2.1.1]hexane hydrochloride |
| IUPAC Name | 1-phenyl-2-azabicyclo[2.1.1]hexane;hydrochloride |
| InChI | InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-9(7-11)8-12-11;/h1-5,9,12H,6-8H2;1H |
| InChI Key | AGEORNRVEBHAAF-UHFFFAOYSA-N |
| MDL Number | MFCD30345198 |
| Molecular Formula | C11H14ClN |
| Molecular Weight | 195.6886 |
| SMILES | Cl.C1[C@]2(C3=CC=CC=C3)NC[C@@H]1C2 |
| Synonyms | 1-phenyl-2-azabicyclo[2.1.1]hexane hydrochloride,
2031260-91-8,
AKOS033976847,
Z2680629446,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.69g/mol |
| Monoisotopic Mass | 195.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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