吗啉 Morpholine

概况
编码系统
物化性质
计算性质
分类
ADME
晶体信息
安全信息
SDS

概况

中文名称

吗啉； 1,4-氧氮杂环己烷；对氧氮苯烷；四氢-1,4-恶嗪；对氧氮六环；吗啡啉； 1,4-氧氮六环
英文名称

Morpholine； morpholine； Morpholin
化学式

C4H9NO
分子量

87.12
分类属性

脂肪醇，醚，氨，氮，氧，四碳
类药性

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编码系统

CAS

110-91-8
MOL

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SMILES

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物化性质

物理描述 Physical Description

Colorless liquid with a weak, ammonia- or fish-like odor. [Note: A solid below 23°F.]
颜色/状态 Color Form

Colorless liquid
气味 Odor

Characteristic amine
沸点 Boiling Point

128.0 °C
熔点 Melting Point

-4.9 °C
闪点 Flash Point

Anhydrous: 35 °C (closed cup), 38 °C (open cup); 88% solution: 42 °C
溶解度 Solubility

Soluble (NTP, 1992)
密度 Density

1.007 at 20 °C/4 °C
蒸气密度 Vapor Density

3 (NTP, 1992) (Relative to Air)
蒸汽压力 Vapor Pressure

10.1 mm Hg at 25 °C
自燃温度 Autoignition Temperature

310 °C (anhydrous)
分解 Decomposition

When heated to decomposition it emits highly toxic fumes of /nitric oxide/.
粘度 Viscosity

2.23 cP at 20 °C
腐蚀性 Corrosivity

Corrosive to metals
汽化热 Heat Of Vaporization

505 J/g at 25 °C; 425 J/g at 128 °C
表面张力 Surface Tension

37.5 dynes/cm at 20 °C
电离电位 Ionization Potential

8.88 eV
气味阈值 Odor Threshold

Air: 0.01 ppm (v/v)
折光率 Refractive Index

Index of refraction: 1.4540 at 20 °C/D
解离常数 Dissociation Constants

pKa = 8.49 (conjugate acid)
保留指数 Kovats Retention Index

794;795;810;749;750;766;779;779;800;810
其他实验性质 Other Experimental Properties

Bulk density = 8.34 lb/gal at 20 °C
辛醇/水分配系数 LogP

-0.86 (LogP)
氢离子浓度指数 pH

Strong base

计算性质

辛醇/水分配系数 LogP

-0.9
重原子数 Heavy atoms count

6
可旋转键数 Rotatable bond count

0
环数 Number of rings

1
sp3杂化的碳原子比例 Carbon bond saturation (Fsp3)

1
拓扑面积 Polar surface area (Å)

21.3
氢给体数 Hydrogen bond donors count

1
氢受体数 Hydrogen bond acceptors count

2

ADME

吸收、分配和排泄

代谢

吸收、分配和排泄

The results of a variety of in vivo and in vitro experiments suggested that the kidneys were the primary route of elimination of morpholine in the rabbit. Morpholine was not bound to serum proteins and was excreted 90% unchanged. The concentration of [14C]morpholine in the renal cortex was 6.6 times the concentration in the blood, and in the renal medulla was 15.3 times the concentration in the blood after 30 min after the intravenous injection of single boluses of labeled compound. The chemical appeared to be distributed mainly to the extracellular space, and its rate of elimination was enhanced by acidification of the urine.

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Hazardous Substances Data Bank (HSDB)

代谢

Morpholine is well absorbed after oral and dermal administration and inhalation. Distribution studies showed that in rabbits, following inhalation or injection, the highest concentrations of morpholine were found in the kidney, whereas, in rats, high concentrations were found in muscle. In mice, rats, hamsters, guinea-pigs, and rabbits, almost all ingested or intravenously or intraperitoneally injected morpholine was excreted unchanged in the urine. In guinea-pigs, the metabolite N-methylmorpholine-N-oxide was identified. Only 0.5% was eliminated as CO2.

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