| CAS Number | 18268-14-9 |
| Catalog Number | AG01EPI4(AGN-PC-3H46OM) |
| Chemical Name | 2-[(1-methylethyl)amino]-1-phenyl-1-pentanone,monohydrochloride |
| IUPAC Name | 1-phenyl-2-(propan-2-ylamino)pentan-1-one;hydrochloride |
| InChI | InChI=1S/C14H21NO.ClH/c1-4-8-13(15-11(2)3)14(16)12-9-6-5-7-10-12;/h5-7,9-11,13,15H,4,8H2,1-3H3;1H |
| InChI Key | LZUBTEDAWLMSJJ-UHFFFAOYSA-N |
| MDL Number | MFCD01232474 |
| Molecular Formula | C14H22ClNO |
| Molecular Weight | 255.7836 |
| SMILES | O=C(C(NC(C)C)CCC)C1=CC=CC=C1.Cl |
| Synonyms | 18268-14-9,
N-Isopropylpentedrone hydrochloride,
Valerophenone, 2-(isopropylamino)-, hydrochloride,
1-Phenyl-2-isopropylamino-1-pentanone hydrochloride,
1-Pentanone, 2-((1-methylethyl)amino)-1-phenyl-, hydrochloride,
2-[(1-methylethyl)amino]-1-phenyl-1-pentanone,monohydrochloride,
1-Pentanone, 2-((1-methylethyl)amino)-1-phenyl-, hydrochloride (1:1),
UNII-BPW1Y81K1P,
BPW1Y81K1P,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.786g/mol |
| Monoisotopic Mass | 255.139g/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