| CAS Number | 33447-62-0 |
| Catalog Number | AG00J3QJ |
| Chemical Name | 1-(1-Adamantyl)-2-(isopropylamino)ethanone hydrochloride |
| IUPAC Name | 1-(1-adamantyl)-2-(propan-2-ylamino)ethanone;hydrochloride |
| InChI | InChI=1S/C15H25NO.ClH/c1-10(2)16-9-14(17)15-6-11-3-12(7-15)5-13(4-11)8-15;/h10-13,16H,3-9H2,1-2H3;1H |
| InChI Key | PKWHQZMPGMYVEI-UHFFFAOYSA-N |
| MDL Number | MFCD01909245 |
| Molecular Formula | C15H26ClNO |
| Molecular Weight | 271.8260 |
| SMILES | C12(CC3CC(CC(C3)C1)C2)C(=O)CNC(C)C.Cl |
| Synonyms | 1-(1-Adamantyl)-2-(isopropylamino)ethanone hydrochloride,
1-(Adamantan-1-yl)-2-(isopropylamino)ethanone hydrochloride,
33447-62-0,
AC1MFDYS,
BIM-0034038.P001,
ZX-CM016178,
MFCD01909245,
AKOS027393466,
1-(1-adamantyl)-2-(propan-2-ylamino)ethanone hydrochloride,
CID2870215,
487012-61-3,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.829g/mol |
| Monoisotopic Mass | 271.17g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number