3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid

3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid 基本信息
CAS号 126164-69-0 分子式 C19H22O4
分子量 314.37600 精确质量  314.15200
PSA  63.60000 LogP  3.53450

基本信息 展开↓

CAS号:
126164-69-0
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分子式:
C19H22O4
分子量:
314.37600
英文名称:
3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid
英文别名:
3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid;
Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-[4-(acetyloxy)phenyl]-
精确分子量/精确质量:
314.15200
极性分子表面积/PSA:
63.60000
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。
InChI:
The Key: OKQMIIAVSFZFNN-UHFFFAOYSA-N

物化性质展开↓

密度:
1.293g/cm3
沸点:
468.2ºC at 760mmHg
闪点:
167.6ºC
折射率:
1.606
蒸汽压:
1.43E-09mmHg at 25°C

合成路线查看所有的合成路线

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    3-(4-羟基苯基)金刚烷-1-羧酸

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  • 75-36-5

    乙酰氯

  • ~96%

  • 126164-69-0

    3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid

  • 108-95-2

    苯酚

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    3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid

  • 21816-08-0

    3-溴-1-金刚烷甲酸

  • 126164-69-0

    3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YD1982000
CHEMICAL NAME :
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-(4-(acetyloxy)phenyl)-
CAS REGISTRY NUMBER :
126164-69-0
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C19-H22-O4
MOLECULAR WEIGHT :
314.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,760,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 52,229,1989

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