您当前所在的位置:首页 > 产品中心 > 产品详细信息
62-49-7 分子结构
点击图片或这里关闭

(2-hydroxyethyl)trimethylazanium

ChemBase编号:9
分子式:C5H14NO+
平均质量:104.17076
单一同位素质量:104.10753907
SMILES和InChIs

SMILES:
OCC[N+](C)(C)C
Canonical SMILES:
OCC[N+](C)(C)C
InChI:
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKey:
OEYIOHPDSNJKLS-UHFFFAOYSA-N

引用这个纪录

CBID:9 http://www.chembase.cn/molecule-9.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(2-hydroxyethyl)trimethylazanium
IUPAC传统名
choline
别名
(2-Hydroxyethyl)trimethylammonium
2-Hydroxy-N,N,N-trimethylethanaminium
Bilineurine
Choline cation
Choline ion
Cholinum
Choline
CAS号
62-49-7
62–49–7
EC号
200–655–4
Beilstein号
1736748
PubChem SID
46508132
160963472
PubChem CID
305
6209
CHEBI ID
15354
CHEMBL
920
Chemspider ID
299
DrugBank ID
DB00122
Gmelin ID
324597
KEGG ID
C00114
美国药典/FDA物质标识码
N91BDP6H0X
维基百科标题
Choline

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 13.968714  质子受体
质子供体 LogD (pH = 5.5) -4.662269 
LogD (pH = 7.4) -4.6622667  Log P -4.662269 
摩尔折射率 42.194 cm3 极化性 12.021414 Å3
极化表面积 20.23 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -3.59  LOG S -1.59 
溶解度 3.61e+00 g/l 

分子性质

分子性质

理化性质 安全信息 生物活性(PubChem)
溶解度
Soluble expand 查看数据来源
沸点
305°C expand 查看数据来源
密度
1.09 g/ml expand 查看数据来源
安全公开号
R expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia
DrugBank -  DB00122 external link
Item Information
Drug Groups approved; nutraceutical
Description A basic constituent of lecithin that is found in many plants and animal organs. It is important as a precursor of acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism. [PubChem]
Indication For nutritional supplementation, also for treating dietary shortage or imbalance
Pharmacology This compound is needed for good nerve conduction throughout the CNS (central nervous system) as it is a precursor to acetylcholine (ACh). Choline is also needed for gallbladder regulation, liver function and lecithin (a key lipid) formation. Choline also aids in fat and cholesterol metabolism and prevents excessive fat build up in the liver. Choline has been used to mitigate the effects of Parkinsonism and tardive dyskinesia. Choline deficiencies may result in excessive build-up of fat in the liver, high blood pressure, gastric ulcers, kidney and liver dysfunction and stunted growth.
Toxicity Oral rat LD50: 3400 mg/kg
Affected Organisms
Humans and other mammals
External Links
Wikipedia
PDRhealth

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    暂无数据
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle