| CAS Number | 1005099-25-1 |
| Catalog Number | AG019J34 |
| Chemical Name | N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-2-chloropropanamide |
| IUPAC Name | N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloropropanamide |
| InChI | InChI=1S/C12H20ClNO/c1-7(13)12(15)14-8(2)11-6-9-3-4-10(11)5-9/h7-11H,3-6H2,1-2H3,(H,14,15) |
| InChI Key | ZWRHZCDJUHUGET-UHFFFAOYSA-N |
| MDL Number | MFCD08729187 |
| Molecular Formula | C12H20ClNO |
| Molecular Weight | 229.7463 |
| SMILES | CC(C(NC(C1C2CC(CC2)C1)C)=O)Cl |
| Synonyms | N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-2-chloropropanamide,
1005099-25-1,
N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-chloropropanamide,
AC1Q2AUL,
AC1MY88E,
CTK7F4271,
AKOS000199351,
AKOS017269040,
MCULE-7589151307,
NCGC00324959-01,
EN300-08451,
AB01319635-02,
N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-2-chloropropanamide,
CID3852689,
N-[1-(6-bicyclo[2.2.1]heptyl)ethyl]-2-chloro-propanamide,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.748g/mol |
| Monoisotopic Mass | 229.123g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number