1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-one Hydrochloride - CAS 1798-83-0
Catalog: |
BB013609 |
Product Name: |
1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-one Hydrochloride |
CAS: |
1798-83-0 |
Synonyms: |
1-(4-chlorophenyl)-3-(dimethylamino)-1-propanone;hydrochloride; 1-(4-chlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride |
IUPAC Name: | 1-(4-chlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride |
Description: | 1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-one Hydrochloride (CAS# 1798-83-0) is a useful research chemical. |
Molecular Weight: | 248.15 |
Molecular Formula: | C11H15Cl2NO |
Canonical SMILES: | CN(C)CCC(=O)C1=CC=C(C=C1)Cl.Cl |
InChI: | InChI=1S/C11H14ClNO.ClH/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9;/h3-6H,7-8H2,1-2H3;1H |
InChI Key: | MQURAWQCJQTMJM-UHFFFAOYSA-N |
Boiling Point: | 310 °C at 760 mmHg |
LogP: | 3.27640 |
Publication Number | Title | Priority Date |
WO-2021058754-A1 | Pharmaceutical compounds | 20190926 |
DE-102010040233-A1 | Bicyclic aza heterocycles and their use | 20100903 |
EP-2611802-B1 | Bicyclic aza-heterocycles and their use | 20100903 |
US-2014148433-A1 | Bicyclic aza heterocycles, and use thereof | 20100903 |
US-9096592-B2 | Bicyclic aza heterocycles, and use thereof | 20100903 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.0530695 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.0530695 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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