2-[(2-hydroxyethyl)carbamoyl]-3-methylquinoxaline-1,4-diium-1,4-bis(olate)

• ChemBase编号: 105796
• 分子式: C12H13N3O4
• 平均质量: 263.24932
• 单一同位素质量: 263.09060591
• SMILES: Cc1[n+]([O-])c2c(cccc2)[n+]([O-])c1C(=O)NCCO
• Canonical SMILES: OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2
• InChI: InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)
• InChIKey: TURHTASYUMWZCC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2-hydroxyethyl)carbamoyl]-3-methylquinoxaline-1,4-diium-1,4-bis(olate); 3-[(2-hydroxyethyl)carbamoyl]-2-methylquinoxaline-1,4-diium-1,4-bis(olate)
• IUPAC传统名: 2-[(2-hydroxyethyl)carbamoyl]-3-methylquinoxaline-1,4-diium-1,4-bis(olate); 3-[(2-hydroxyethyl)carbamoyl]-2-methylquinoxaline-1,4-diium-1,4-bis(olate)
• 别名: N-(2-羟乙基)-3-甲基-2-喹喔啉甲酰胺 1,4-二氧化物; 喹乙醇; Fedan; NSC 634933; 2-((2-Hydroxyethyl)carbamoyl)-3-methylquinoxaline 1,4-dioxide; Olaquindox; N-(2-Hydroxyethyl)-3-methyl-2-quinoxalinecarboxamide 1,4-dioxide; Olachindox; Bisergon; Bayernox; Bayonox; OLAQUINDOX

登记号

• CAS号: 23696-28-8
• EC号: 245-832-7
• MDL号: MFCD00210341
• PubChem SID: 162092694; 24860694
• PubChem CID: 71905

理论计算性质

• Acid pKa: 10.593044
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -1.894068
• LogD (pH = 7.4): -1.8942964
• Log P: -1.8940496
• 摩尔折射率: 69.5599 cm^3
• 极化性: 25.959 Å^3
• 极化表面积: 103.21 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO (sparingly); Water
• 外观: Yellow Solid
• 熔点: 192-194°C (dec.); 217°C

安全信息

• 保存条件: 2-8°C; Refrigerator, Under Inert Atmosphere
• RTECS编号: VD1582000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-42; R:40/22-43
• 安全公开号: 22; S:28-29-36/37/39-45-53
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H302-H334
• GHS警示性声明: P261-P342 + P311
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: 95+%; 98%
• 级别: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C12H13N3O4

详细说明

MP Biomedicals - 02194173

Purity: 98%
Acts as a growth stimulant.

Sigma Aldrich - 33987

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - O515000

A growth stimulant.

参考文献

• Barber, R.S., et al.: Anim. Feed Sci. Technol., 4, 117 (1979)
• Kwaga, J., et al.: Antimicrob. Agents Chemother., 34, 2423 (1979)
• Hugot, J., et al.: Lancet, 362, 2012 (1979)