(2S,6R)-4-{2-[(4-tert-butylphenyl)methyl]propyl}-2,6-dimethylmorpholine

• ChemBase编号: 127407
• 分子式: C20H33NO
• 平均质量: 303.48212
• 单一同位素质量: 303.25621468
• SMILES: O1[C@H](CN(CC(C)Cc2ccc(cc2)C(C)(C)C)C[C@H]1C)C
• Canonical SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C
• InChI: InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
• InChIKey: RYAUSSKQMZRMAI-ALOPSCKCSA-N

名称和登记号

名称

• IUPAC标准名: (2S,6R)-4-{2-[(4-tert-butylphenyl)methyl]propyl}-2,6-dimethylmorpholine; (2R,6S)-4-{2-[(4-tert-butylphenyl)methyl]propyl}-2,6-dimethylmorpholine
• IUPAC传统名: (2S,6R)-4-{2-[(4-tert-butylphenyl)methyl]propyl}-2,6-dimethylmorpholine; fenpropimorphe
• 别名: (2R,6S)-rel-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine; cis-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine; cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine; BAS 42100F; Corbel; Forbel 750; Mistral; Fenpropimorph

登记号

• CAS号: 67564-91-4
• PubChem SID: 162221728
• PubChem CID: 93365
• Chemspider ID: 84290
• 维基百科标题: Fenpropimorph

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.2970722
• LogD (pH = 7.4): 4.048294
• Log P: 5.172551
• 摩尔折射率: 95.0063 cm^3
• 极化性: 37.494984 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: 4.3 mg/L (20 °C) in water
• 外观: Colorless liquid
• 沸点: 120 °C (0.067 mbar)

详细说明

Toronto Research Chemicals - F249500

Systemic fungicide for control of powdery mildew, rust in cereal crops.

参考文献

• Baloch, R.I., et al.: Phytochemistry, 23, 2219 (1984)
• Pommer, E.-H., et al.: Pestic. Sci., 15, 285 (1984)