| CAS Number | 39086-68-5 |
| Catalog Number | AG00C6Q9(AGN-PC-00UX2U) |
| Chemical Name | 2-Chloro-1-(octahydroquinolin-1(2H)-yl)ethanone |
| IUPAC Name | 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloroethanone |
| InChI | InChI=1S/C11H18ClNO/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h9-10H,1-8H2 |
| InChI Key | RDTNIAJMHHVOCO-UHFFFAOYSA-N |
| MDL Number | MFCD07847873 |
| Molecular Formula | C11H18ClNO |
| Molecular Weight | 215.7197 |
| SMILES | C1CCC2C(C1)CCCN2C(=O)CCl |
| Synonyms | 39086-68-5,
1-(chloroacetyl)decahydroquinoline,
2-Chloro-1-(decahydroquinolin-1-yl)ethan-1-one,
2-Chloro-1-(octahydroquinolin-1(2H)-yl)ethanone,
1-chloroacetyl-decahydro-quinoline,
AC1Q3TEJ,
SCHEMBL770256,
AKOS009075612,
MCULE-3386554763,
NE23206,
EN300-22979,
2-Chloro-1-(octahydro-quinolin-1(2h)-yl)ethanone,
J-508587,
F8889-5343,
Z168883444,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.721g/mol |
| Monoisotopic Mass | 215.108g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number