| CAS Number | 23935-14-0 |
| Catalog Number | AG01E765(AGN-PC-0O852Q) |
| Chemical Name | 3-(Dimethylamino)-1-(3,4-dimethylphenyl)propan-1-one hydrochloride |
| IUPAC Name | 3-(dimethylamino)-1-(3,4-dimethylphenyl)propan-1-one;hydrochloride |
| InChI | InChI=1S/C13H19NO.ClH/c1-10-5-6-12(9-11(10)2)13(15)7-8-14(3)4;/h5-6,9H,7-8H2,1-4H3;1H |
| InChI Key | ZNCZUACZBJPGTA-UHFFFAOYSA-N |
| MDL Number | MFCD22123333 |
| Molecular Formula | C13H20ClNO |
| Molecular Weight | 241.7570 |
| SMILES | Cl.O=C(C1(=CC(=C(C)C=C1)C))CCN(C)C |
| Synonyms | 3-(Dimethylamino)-1-(3,4-dimethylphenyl)propan-1-one hydrochloride,
23935-14-0,
3-(Dimethylamino)-1-(3,4-dimethylphenyl)-propan-1-one hydrochloride,
MFCD22123333,
JS-3008,
KS-0000276I,
|
| Complexity | 213 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.759g/mol |
| Monoisotopic Mass | 241.123g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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