[3-(2-acetylphenoxy)-2-hydroxypropyl]-di(propan-2-yl)azanium,chloride

Modify Date: 2025-10-11 19:50:19

[3-(2-acetylphenoxy)-2-hydroxypropyl]-di(propan-2-yl)azanium,chloride Structure
[3-(2-acetylphenoxy)-2-hydroxypropyl]-di(propan-2-yl)azanium,chloride structure
 Common Name [3-(2-acetylphenoxy)-2-hydroxypropyl]-di(propan-2-yl)azanium,chloride
CAS Number 63990-69-2 Molecular Weight 329.86200
Density N/A Boiling Point 422.9ºC at 760 mmHg
Molecular Formula C17H28ClNO3 Melting Point N/A
MSDS N/A Flash Point 209.6ºC

 Names

Name [3-(2-acetylphenoxy)-2-hydroxypropyl]-di(propan-2-yl)azanium,chloride

 Chemical & Physical Properties

Boiling Point 422.9ºC at 760 mmHg
Molecular Formula C17H28ClNO3
Molecular Weight 329.86200
Flash Point 209.6ºC
Exact Mass 329.17600
PSA 49.77000
LogP 3.54970
InChIKey XFJUBSCJIVHSLU-UHFFFAOYSA-N
SMILES CC(=O)c1ccccc1OCC(O)C[NH+](C(C)C)C(C)C.[Cl-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM8280000
CHEMICAL NAME :
Acetophenone, 2'-((3-diisopropylamino-2-hydroxy)propoxy)-, hydrochloride
CAS REGISTRY NUMBER :
63990-69-2
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H27-N-O3.Cl-H
MOLECULAR WEIGHT :
329.91
WISWESSER LINE NOTATION :
1Y1&NY1&1&1YQ1OR BV1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,797,1973
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Chemsrc provides CAS#:63990-69-2 MSDS, density, melting point, boiling point, structure, etc. Its name is [3-(2-acetylphenoxy)-2-hydroxypropyl]-di(propan-2-yl)azanium,chloride>> amp version: [3-(2-acetylphenoxy)-2-hydroxypropyl]-di(propan-2-yl)azanium,chloride

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