(3S)-3-methylmorpholine

• ChemBase编号: 68025
• 分子式: C5H11NO
• 平均质量: 101.14694
• 单一同位素质量: 101.08406398
• SMILES: N1[C@H](COCC1)C
• Canonical SMILES: C[C@H]1COCCN1
• InChI: InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
• InChIKey: SFWWGMKXCYLZEG-YFKPBYRVSA-N

名称和登记号

名称

• IUPAC标准名: (3S)-3-methylmorpholine
• IUPAC传统名: (3S)-3-methylmorpholine
• 别名: (S)-3-Methylmorpholine; (3S)-3-Methylmorpholine; 3S-3-Methylmorpholine; (S)-3-Methyl Morpholine

登记号

• CAS号: 350595-57-2
• MDL号: MFCD03840369
• PubChem SID: 162033757
• PubChem CID: 12012220

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.8545377
• LogD (pH = 7.4): -1.2097597
• Log P: 0.0051961015
• 摩尔折射率: 28.1867 cm^3
• 极化性: 11.428371 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - M320525

It is useful in preparation of morpholinopyrimidine derivatives as mTOR kinase inhibitors for the treatment of diseases mediated by mTOR kinase and/or one or more PI3K enzymes.

参考文献

• Mease, P., et al.: Lancet, 356, 385 (2000)
• Bang, L., et al.: BioDrugs, 18, 121 (2000)
• O'Keefe, S., et al.: J. Biol. Chem., 282, 34663 (2000)
• Tracey, D., et al.: Pharmacol. Ther., 117, 244 (2000)