5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one

5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one 基本信息
CAS号 7021-46-7 分子式 C7H7NO2
分子量 137.13600 精确质量  137.04800
PSA  63.32000 LogP  0.91580

基本信息 展开↓

CAS号:
7021-46-7
3D弹球模型:
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分子式:
C7H7NO2
分子量:
137.13600
英文名称:
5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one
英文别名:
5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one;
2,4,6-CYCLOHEPTATRIEN-1-ONE,5-AMINO-2-HYDROXY;
VII tropolone;
5-amino-2-hydroxytropone;
5-aminotopolone;
5-amino-tropolone;
5-Amino-2-hydroxy-2,4,6-cycloheptatrien-1-one;
5-Amino-tropolon
精确分子量/精确质量:
137.04800
极性分子表面积/PSA:
63.32000
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: SJJUTRFFONLOHZ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.356g/cm3
沸点:
262.3ºC at 760 mmHg
闪点:
112.5ºC
折射率:
1.638
存储条件/存储方法:
库房通风低温干燥

合成路线查看所有的合成路线

  • 2297-94-1

    5-Nitrosotropolone

  • ~94%

  • 7021-46-7

    5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one

  • 2297-94-1

    5-Nitrosotropolone

  • +

  • 7772-99-8

    氯化锡(II)

  • ~10%

  • 7021-46-7

    5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one

  • 82968-90-9

    [4-(1-azido-1-methylethyl)-7-oxo-1,3,5-cycloheptatrienyloxy]difluoroborane

  • 7021-46-7

    5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one

  • +

  • 22057-97-2

    22057-97-2

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU3829500
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 5-amino-2-hydroxy-
CAS REGISTRY NUMBER :
7021-46-7
BEILSTEIN REFERENCE NO. :
1524779
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H7-N-O2
MOLECULAR WEIGHT :
137.15

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 :
230 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - analgesia Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 91,550,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
521 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - analgesia Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 91,550,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 92,19,1972

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