ammonium 2-amino-4-[hydroxy(methyl)phosphoryl]butanoate

• ChemBase编号: 127172
• 分子式: C5H15N2O4P
• 平均质量: 198.157361
• 单一同位素质量: 198.0769436
• SMILES: CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]
• Canonical SMILES: [O-]C(=O)C(CCP(=O)(O)C)N.[NH4+]
• InChI: InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3
• InChIKey: ZBMRKNMTMPPMMK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ammonium 2-amino-4-[hydroxy(methyl)phosphoryl]butanoate
• IUPAC传统名: ammonium 2-amino-4-[hydroxy(methyl)phosphoryl]butanoate
• 别名: Glufosinate ammonium; 2-Amino-4-(hydroxymethylposphinyl)butanoic acid monoammonium salt; Phosphinothricin; DL-Phosphinothricin; 2-Amino-4-(hydroxymethylphosphinyl)butanoic Acid Ammonium Salt; Ammonium Glufosinate; Basta 150SL; Basta Fl; Basta LS; Buster; Dash; Finale; Glufosinate Monoammonium Salt; HOE 00661; HOE 39866; Ignite; Liberty; Glufosinate Ammonium

登记号

• CAS号: 77182-82-2
• PubChem SID: 162221494
• PubChem CID: 53597
• 维基百科标题: DL-Phosphinothricin

理论计算性质

• Acid pKa: 1.8575279
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): -6.220079
• LogD (pH = 7.4): -7.120854
• Log P: -3.7824583
• 摩尔折射率: 50.4981 cm^3
• 极化性: 15.78961 Å^3
• 极化表面积: 103.45 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: White Solid
• 熔点: 187-193°C; 205°C

安全信息

• 保存条件: Hygroscopic, Refrigerator, Under Inert Atmosphere
• 危险公开号: R23/24/25

详细说明

Toronto Research Chemicals - G596950

Used as a herbicide.

参考文献

• Abbas, H., et al.: J. Agric. Food Chem., 50, 5246 (2002)
• Gower, S., et al.: Weed Tech., 17, 821 (2002)
• Thelen, K., et al.: Crop Sci., 47, 2098 (2002)