3-(Dimethylamino)-1-(4-methylphenyl)propan-1-one Hydrochloride - CAS 5250-02-2
Catalog: |
BB027850 |
Product Name: |
3-(Dimethylamino)-1-(4-methylphenyl)propan-1-one Hydrochloride |
CAS: |
5250-02-2 |
Synonyms: |
3-(dimethylamino)-1-(4-methylphenyl)-1-propanone;hydrochloride; 3-(dimethylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride |
IUPAC Name: | 3-(dimethylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride |
Description: | 3-(Dimethylamino)-1-(4-methylphenyl)propan-1-one Hydrochloride (CAS# 5250-02-2 ) is a useful research chemical. |
Molecular Weight: | 227.73 |
Molecular Formula: | C12H18ClNO |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)CCN(C)C.Cl |
InChI: | InChI=1S/C12H17NO.ClH/c1-10-4-6-11(7-5-10)12(14)8-9-13(2)3;/h4-7H,8-9H2,1-3H3;1H |
InChI Key: | SDNGTEVPTBGTKK-UHFFFAOYSA-N |
Boiling Point: | 318.2 °C at 760 mmHg |
LogP: | 2.93140 |
Publication Number | Title | Priority Date |
US-2004077529-A1 | Urotensin II receptor agents | 20020610 |
US-2006058374-A1 | Urotensin II receptor agents | 20020610 |
WO-03104216-A1 | Urotensin ii receptor modulators | 20020610 |
EP-0035792-A2 | Certain 1-(3,5-dichlorobenzoyl)-3-phenylpyrazolines and their use as mildewicides | 19800310 |
EP-0035792-B1 | Certain 1-(3,5-dichlorobenzoyl)-3-phenylpyrazolines and their use as mildewicides | 19800310 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.1076919 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.1076919 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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