(2'S)-尼古丁氧化物

(2'S)-尼古丁氧化物 基本信息
CAS号 2820-55-5 分子式 C10H14N2O
分子量 178.23100 精确质量  178.11100
PSA  28.70000 LogP  1.81970

基本信息 展开↓

CAS号:
2820-55-5
3D弹球模型:
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分子式:
C10H14N2O
分子量:
178.23100
中文名称:
(2'S)-尼古丁氧化物
英文名称:
(2'S)-Nicotine 1-Oxide
中文别名:
(2'S)-尼古丁氧化物
英文别名:
(2'S)-Nicotine 1-Oxide;
1-chloroacetyl-L-proline;
N-chloroacetyl-L-proline;
nicotine N-oxide;
nicotine nitrogen oxide
精确分子量/精确质量:
178.11100
极性分子表面积/PSA:
28.70000
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: YHXKVHQFWVYXIC-JTQLQIEISA-N

物化性质展开↓

密度:
1.15g/cm3
沸点:
347.9ºC at 760mmHg
闪点:
164.2ºC
折射率:
1.589
蒸汽压:
5.22E-05mmHg at 25°C

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 2055-29-0

    Dioxynicotine

  • ~95%

  • 2820-55-5

    (2'S)-尼古丁氧化物

  • 2055-29-0

    Dioxynicotine

  • ~31%

  • 2820-55-5

    (2'S)-尼古丁氧化物

  • +

  • 54-11-5

    尼古丁

  • 54-11-5

    尼古丁

  • 2820-55-5

    (2'S)-尼古丁氧化物

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QS9604000
CHEMICAL NAME :
Nicotine, 1-oxide
CAS REGISTRY NUMBER :
2820-55-5
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C10-H14-N2-O

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 :
295 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 24,534,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
295 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 24,534,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
24100 ug/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 24,534,1961
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,1011,1961

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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