普罗帕酮

普罗帕酮 基本信息
CAS号 54063-53-5 分子式 C21H27NO3
分子量 341.44400 精确质量  341.19900
PSA  58.56000 LogP  3.63230

基本信息 展开↓

CAS号:
54063-53-5
分子式:
C21H27NO3
分子量:
341.44400
中文名称:
普罗帕酮
英文名称:
propafenone
中文别名:
普罗帕酮;
1-[2-[2-羟基-3-(丙氨基)-丙氧基]苯基]-3-苯基-1-丙酮;
丙苯酮
英文别名:
propafenone;
5-OH-Propafenone-D5;
PROPAFENONE HCL USP;
WZ-884-642;
WZ-884-643;
Propafenone
精确分子量/精确质量:
341.19900
极性分子表面积/PSA:
58.56000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
258-955-6
InChI:
InChI=1/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3

物化性质展开↓

外观与性状:
白色结晶粉末
密度:
1.096 g/cm3
熔点:
171 - 174ºC
沸点:
519.6°C at 760 mmHg
闪点:
268ºC
折射率:
1.557

安全信息展开↓

危险类别码:
R46
安全说明:
53-36/37/39-45

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UC2984700
CHEMICAL NAME :
1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phen yl-
CAS REGISTRY NUMBER :
54063-53-5
LAST UPDATED :
199801
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C21-H27-N-O3
MOLECULAR WEIGHT :
341.49

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
36 mg/kg/3D-I
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Behavioral - toxic psychosis Behavioral - alteration of classical conditioning
REFERENCE :
JCLPDE Journal of Clinical Psychiatry. (Physicians Postgraduate Press, Inc., POB 240008, Memphis, TN 38124) V.39- 1978- Volume(issue)/page/year: 46,104,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
2346 mg/kg/1Y-I
TOXIC EFFECTS :
Peripheral Nerve and Sensation - sensory change involving peripheral nerve
REFERENCE :
MACPAJ Mayo Clinic Proceedings. (Room 1035, Plummer Bldg., Mayo Clinic, Rochester, MN 55905) V.39- 1964- Volume(issue)/page/year: 70,469,1995
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
1404 mg/kg/78D-I
TOXIC EFFECTS :
Skin and Appendages - dermatitis, allergic (after systemic exposure)
REFERENCE :
AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 104,589,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
116 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - coma Cardiac - EKG changes not diagnostic of specified effects
REFERENCE :
AEMED3 Annals of Emergency Medicine. (American College of Emergency Physicians, 1125 Executive Circle, Irving, TX 75038) Volume(issue)/page/year: 24,98,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
440 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan) V.1- 1988- Volume(issue)/page/year: 4,121,1991
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