5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol,hydrochloride

5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol,hydrochloride 基本信息
CAS号 3131-27-9 分子式 C9H14ClNO3
分子量 219.66500 精确质量 　219.06600
PSA 　62.58000 LogP 　1.53630
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 上下游

基本信息 展开↓

CAS号：
3131-27-9
3D弹球模型：
立即前往扯扯看
分子式：
C9H14ClNO3
分子量：
219.66500
英文名称：
5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol,hydrochloride
英文别名：
5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol,hydrochloride;
4-Methoxymethylpyridoxol hydrochloride;
2-methyl-3-hydroxy-4-methoxymethyl-5-hydroxymethylpyridine hydrochloride;
5-hydroxy-4-(methoxymethyl)-6-methyl-3-pyridinemethanol,hydrochloride;
4'-O-methylpyridoxine hydrochloride;
5-Hydroxymethyl-4-methoxymethyl-2-methyl-pyridin-3-ol,Hydrochlorid;
4-Methoxymethyl-5-hydroxy-6-methyl-3-pyridinemethanol hydrochloride;
3-Pyridinemethanol,5-hydroxy-4-(methoxymethyl)-6-methyl-,hydrochloride;
3-Hydroxy-5-hydroxymethyl-4-methoxymethyl-2-methylpyridine hydrochloride;
ginkgotoxin hydrochloride;
4-Methoxymethylpyridoxine hydrochloride;
5-hydroxymethyl-4-methoxymethyl-2-methyl-pyridin-3-ol,hydrochloride
精确分子量/精确质量：
219.06600
极性分子表面积/PSA：
62.58000
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: WIQVPGFUYBUXNC-UHFFFAOYSA-N

物化性质展开↓

密度：
1.218g/cm3
沸点：
404.2ºC at 760 mmHg
闪点：
198.3ºC
折射率：
1.562

安全信息展开↓

海关代码：
2933399090

合成路线查看所有的合成路线

  • 5429-57-2

    5-(aminomethyl)-4-(methoxymethyl)-2-methylpyridin-3-amine,hydrochloride

  • →

  • 10597-41-8

    4,5-Bis(hydroxymethyl)-2-methylpyridine hydrochloride

  • +

  • 3131-27-9

    5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol,hydrochloride

  • +

  • 78313-60-7

    2-Methyl-3-hydroxy-4-methoxymethyl-5-chloromethylpyridine hydrochloride

  • +

  • 20857-33-4

    3-Pyridinemethanol, 5-chloro-4-(methoxymethyl)-6-methyl-,hydrochloride

  • 5429-57-2

    5-(aminomethyl)-4-(methoxymethyl)-2-methylpyridin-3-amine,hydrochloride

  • →

  • 3131-27-9

    5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol,hydrochloride

  • 124-41-4

    甲醇钠

  • +

  • 58-56-0

    吡哆醇盐酸盐

  • →

  • 3131-27-9

    5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol,hydrochloride

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT5010000
CHEMICAL NAME :
3-Pyridinemethanol, 5-hydroxy-4-(methoxymethyl)-6-methyl-, hydrochloride
CAS REGISTRY NUMBER :
3131-27-9
LAST UPDATED :
197906
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C9-H13-N-O3.Cl-H
MOLECULAR WEIGHT :
219.69
WISWESSER LINE NOTATION :
T6NJ B1 CQ D1O1 E1Q &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2150 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
705 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
420 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
21 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
22 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
8 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Gastrointestinal - hypermotility, diarrhea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961

海关数据查看详细

中国海关编码：2933399090

概述：
2933399090. 其他结构含非稠合吡啶环的化合物. 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：
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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下游产品

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  • 78313-59-4

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