(4-methylmorpholin-1-ium-1-yl)boranuide

• ChemBase编号: 147756
• 分子式: C5H13BNO
• 平均质量: 113.97382
• 单一同位素质量: 114.10901944
• SMILES: [BH2-][O+]1CCN(CC1)C
• Canonical SMILES: [BH2-][O+]1CCN(CC1)C
• InChI: InChI=1S/C5H14BNO/c1-7-2-4-8(6)5-3-7/h2-5H2,1,6H3
• InChIKey: LCJPHDKSLJEBCF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methylmorpholin-1-ium-1-yl)boranuide
• IUPAC传统名: (4-methylmorpholin-1-ium-1-yl)boranuide
• 别名: 4-甲基吗啉-硼烷; 4-甲基吗啉硼烷络合物; 4-Methylmorpholine-borane; Borane 4-methylmorpholine complex

登记号

• CAS号: 15648-16-5
• MDL号: MFCD00064537
• PubChem SID: 162241939; 24855874
• PubChem CID: 60145877

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -2.4523563
• LogD (pH = 7.4): -2.0444171
• Log P: -2.0357
• 摩尔折射率: 42.9584 cm^3
• 极化性: 15.342693 Å^3
• 极化表面积: 16.83 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 42-45 °C(lit.)
• 闪点: 150.8 °F; 66 °C

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1325
• 德国WGK号: 3
• 联合国危险货物等级: 4.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-20/21/22-36/37/38
• 安全公开号: 16-23-26-33-36
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• GHS危险声明: H228-H302-H312-H315-H319-H332-H335
• GHS警示性声明: P210-P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C5H14BNO

详细说明

Sigma Aldrich - 262323

包装
5 g in glass bottle
Application
Reagent for:
• Labeling oligosaccharides for quantitative mass spectrometry1
• Analysis of sugar markers associated with Bacillus anthracis spores after culture2
• Synthesis of sulfated red seaweed galactan derived disaccharide alditol3
• Analysis of sulfated galactans from red algae by reductive hydrolysis and mild methanolysis by HPLC4Reactant for methanolic cleavage5Used in reductive pyrolysis of carrageenan by high performance anion-exchange chromatography6