| CAS Number | 18268-16-1 |
| Catalog Number | AG01EP0Y(AGN-PC-0QC9BZ) |
| Chemical Name | α-Ethylaminopentiophenone (hydrochloride) |
| IUPAC Name | 2-(ethylamino)-1-phenylpentan-1-one;hydrochloride |
| InChI | InChI=1S/C13H19NO.ClH/c1-3-8-12(14-4-2)13(15)11-9-6-5-7-10-11;/h5-7,9-10,12,14H,3-4,8H2,1-2H3;1H |
| InChI Key | QIVGZMBSFAGAAC-UHFFFAOYSA-N |
| Molecular Formula | C13H20ClNO |
| Molecular Weight | 241.7570 |
| SMILES | O=C(C(NCC)CCC)C1=CC=CC=C1.Cl |
| Synonyms | Valerophenone, 2-ethylamino-, hydrochloride,
18268-16-1,
1-Phenyl-2-ethylamino-pentanone-(1) hydrochloride,
2-(Ethylamino)-1-phenyl-1-pentanone hydrochloride,
1-Pentanone, 2-(ethylamino)-1-phenyl-, hydrochloride,
AC1L4EZ4,
alpha-Ethylaminopentiophenone hydrochloride,
LS-101966,
2-(ethylamino)-1-phenylpentan-1-one hydrochloride,
2-(ethylamino)-1-phenyl-1-pentanone,monohydrochloride,
UNII-1EUH35147A,
C13-H19-N-O.Cl-H,
1EUH35147A,
CID205592,
2-(ethylamino)-1-phenylpentan-1-one,hydrochloride,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.759g/mol |
| Monoisotopic Mass | 241.123g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number