化学品概述
白色或灰白色粉末,易吸湿潮解。pKa{1}=3.9;pKa{2}=6.1。溶于水、甲醇,难溶于乙醇,不溶于醚和乙酸乙酯。
基本信息
- 中文名称:
- 中文别名:
- 英文名称:
- 英文别名:
- 分子式:
- 分子量:
- CAS:
- EINECS编号:
- MDL编号:
- 精确质量:
- InChI:
- InChI Key:
- MOL文件:
- PSA:
- LogP:
- FEMA编码:
- COE编码:
理化性质
- 外观性质:
- 熔点:
- 沸点:
- 密度:
- 折射率:
- 比旋光度:
- 闪点:
- 溶解性:
-
酸度系数(pKa):
H2O: 50 mg/mL, clear, slightly yellow
- 相对极性:
- PH值:
- 爆炸极限值(explosive limit):
- 敏感性:
-
储存条件:
−20°C
- 检测方法:
- 蒸气压:
-
Merck:
14,6348
- BRN:
- NIST化学物质信息:
-
EPA化学物质信息:
http://iaspub.epa.gov/sor_internet/registry/substreg/searchandretrieve/advancedsearch/search.do?search=?search=&searchCriteria(advancedCriteria)=casNumber=53-59-8
安全信息
-
危化品标志:
Xi
-
危化代码:
36/37/38
-
安全代码:
26-36
- 海关编码/HS编码:
- 危化品运输编码:
-
WGK Germany:
3
-
RTECS:
UU3440000
- TSCA:
- 危化等级:
- 包装类别:
- 毒理资料:
- 灭火剂:
应用领域
是生物体内必需的一种辅酶,用于生化和药物研究。生化研究。
制备方法/合成路线
鲜羊肝经研磨过滤处理,80℃热水提取,三氯乙酸处理,经碱中和至pH5-6,离心沉淀洗涤,粗品纯化后经阳离子交换树脂置换,剃度洗脱,精制干燥制得。
参考资料
- One of the biologically active forms of nicotinic acid, q.v. Differs from NAD, q.v., by an additional phosphate group at the 2¢-position of the adenosine moiety. Serves as a coenzyme of hydrogenases and dehydrogenases. Present in living cells primarily in the reduced form (NADPH) and is involved in synthetic reactions. Isoln from horse blood: O. Warburg et al., Biochem. Z. 282, 157 (1935); from hog liver by adsorption on charcoal: G. A. LePage, G. C. Mueller, J. Biol. Chem. 180, 975 (1949); from sheep liver by extraction with hot water: A. Kornberg, B. L. Horecker, Biochem. Prep. 3, 24 (1953); from human red blood cells by anion-exchange chromatography: G. R. Bartlett, J. Biol. Chem. 234, 449, 459 (1959). Chemical and enzymatic synthesis: D. R. Walt et al., J. Am. Chem. Soc. 106, 234 (1984). Nomenclature: M. Dixon, Science 132, 1548 (1960). Review of synthesis and metabolism: Y. Nishizuka in Method. Chim. vol. 11, F. Korte, Ed. (Academic Press, New York, 1977) pp 84-87. Review: "Niacin: Nicotinic Acid, Nicotinamide, NAD(P)" in Vitamins, W. Friedrich, Ed. (Walter de Gruyter, Berlin, 1988) pp 473-542.
- MSDS
图谱
计算化学数据
-
疏水参数计算参考值(XlogP):
-7.1
-
氢键供体数量 :
8
-
氢键受体数量:
17
-
可旋转化学键数量:
13
-
拓扑分子机型表面积(TPSA) :
368
-
重原子数量:
48
-
形式电荷:
0
-
复杂度:
1290
-
同位素原子数量:
0
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确定原子立构中心数量:
8
-
不确定原子立构中心数量:
0
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确定化学键立构中心数量:
0
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不确定化学键立构中心数量:
0
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共价键单元数量:
1