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4-HYDROXYAMINOQUINOLINE N-OXIDE HYDROCHLORIDE
4-HYDROXYAMINOQUINOLINE N-OXIDE HYDROCHLORIDE 基本信息
CAS号
1010-61-3
分子式
C9H9ClN2O2
分子量
212.63300
精确质量
212.03500
PSA
57.72000
LogP
2.94440
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目录
基本信息
物化性质
毒性
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基本信息
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CAS号:
1010-61-3
3D弹球模型:
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分子式:
C9H9ClN2O2
分子量:
212.63300
中文名称:
4-HYDROXYAMINOQUINOLINE N-OXIDE HYDROCHLORIDE
英文名称:
4-HYDROXYAMINOQUINOLINE N-OXIDE HYDROCHLORIDE
中文别名:
4-HYDROXYAMINOQUINOLINE N-OXIDE HYDROCHLORIDE
英文别名:
4-HYDROXYAMINOQUINOLINE N-OXIDE HYDROCHLORIDE;
(S)-N-(1-methyloxycarbonyl-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'(1H-tetrazol-5-yl)biphenyl-4-yl-methyl]amine;
N-(1-oxy-[4]quinolyl)-hydroxylamine,hydrochloride;
(S)-methyl 2-(N-((2'-(1H-tetrazol-5-yl)-biphenyl-4-yl)methyl)pentanamido)-3-methylbutanoate;
N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine methyl ester;
(2S)-methyl 3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate;
N-(1-Oxy-[4]chinolyl)-hydroxylamin,Hydrochlorid;
(S)-Methyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate;
N-pentanoyl-N-[[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]-methyl]-(L)-valine methyl ester;
(S)-N-(1-Methoxycarbonyl-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine
精确分子量/精确质量:
212.03500
极性分子表面积/PSA:
57.72000
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: OGDOGWAKOPXMGL-UHFFFAOYSA-N
物化性质
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蒸汽压:
2.94E-05mmHg at 25°C
毒理性
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CHEMICAL IDENTIFICATION
RTECS NUMBER :
VC0175000
CHEMICAL NAME :
Quinoline, 4-(hydroxyamino)-, 1-oxide, hydrochloride
CAS REGISTRY NUMBER :
1010-61-3
LAST UPDATED :
199410
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C9-H8-N2-O2.Cl-H
MOLECULAR WEIGHT :
212.65
WISWESSER LINE NOTATION :
T66 BNJ BO EMQ &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 :
20440 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg/45W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16 mg/kg/2W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Gastrointestinal - tumors Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
240 mg/kg/50D-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
451 ug/kg
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
MUTATION DATA
TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - hamster Embryo
DOSE/DURATION :
2130 ug/L
REFERENCE :
JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 41,53,1968
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