(+/-)-AC 7954 Hydrochloride

Base Information

• Chemical Name: (+/-)-AC 7954 Hydrochloride
• CAS No.: 477313-09-0
• Molecular Formula: C19H21Cl2NO2
• Molecular Weight: 366.2815
• DSSTox Substance ID: DTXSID80432683
• ChEMBL ID: CHEMBL535141
• Mol file: 477313-09-0.mol

Synonyms:477313-09-0;(+/-)-AC 7954 HYDROCHLORIDE;3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-4H-isochromen-1-one;hydrochloride;1H-2-Benzopyran-1-one, 3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-, (Hydrochloride) (1:1);1H-2-Benzopyran-1-one,3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-,hydrochloride;CHEMBL535141;DTXSID80432683;AJPGLOWFIBOGMH-UHFFFAOYSA-N;CUA31309;AKOS024457127;AC-7954, >=98% (HPLC), solid;(+/-)-3-(4-Chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-1H-2-benzopyran-1-one hydrochloride;1H-2-Benzopyran-1-one,3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-,hydrochloride(1:1);3-(4-Chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-1H-2-benzopyran-1-one--hydrogen chloride (1/1)

Chemical Property of (+/-)-AC 7954 Hydrochloride

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 9.57E-09mmHg at 25°C
• Boiling Point: 462.8 °C at 760 mmHg
• Flash Point: 233.7 °C
• PSA: 29.54000
• LogP: 4.70210
• Storage Temp.: Store at +4°C
• Solubility.: H2O: ~28 mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 365.0949343
• Heavy Atom Count: 24
• Complexity: 420

Purity/Quality:

99% ^*data from raw suppliers

(?±)-AC7954Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl.Cl
• Uses: (?±)-AC 7954 Hydrochloride is a nonpeptide agonist of GPR14/urotensin-II receptor.