4-ethoxyaniline

• ChemBase编号: 20111
• 分子式: C8H11NO
• 平均质量: 137.17904
• 单一同位素质量: 137.08406398
• SMILES: c1(N)ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)N
• InChI: InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
• InChIKey: IMPPGHMHELILKG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-ethoxyaniline
• IUPAC传统名: P-ethoxyaniline
• 别名: 4-乙氧基苯胺; 对氨基苯乙醚; 4-乙氧基苯胺; 氨基苯乙醚; 4-Ethoxyaniline; 4-Phenetidine; 4-Aminophenetole; 4-Ethoxyaniline; p-Phenetidine; 4-Ethoxyaniline; p-Phenetidine; 4-Ethoxybenzenamine; 1-Amino-4-ethoxybenzene; 4-Ethoxyphenylamine; NSC 3116; p-Aminophenetole; p-Ethoxyaniline; p-Ethoxyphenylamine; p-Phenetidin; p-PHENETIDINE

登记号

• CAS号: 156-43-4
• EC号: 205-855-5
• MDL号: MFCD00007865
• Beilstein号: 606666
• 默克索引号: 147228
• PubChem SID: 24898204; 160983418
• PubChem CID: 9076

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.1914701
• LogD (pH = 7.4): 1.3411663
• Log P: 1.3434565
• 摩尔折射率: 41.9702 cm^3
• 极化性: 15.829006 Å^3
• 极化表面积: 35.25 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Clear Yellow Oil
• 熔点: 2.4°C; 2-4°C; 2-5 °C(lit.); 2-5°C
• 沸点: 250 °C(lit.); 250°C; 254°C
• 闪点: 115°C(239°F); 140 °C; 140°C; 284 °F
• 密度: 1.06 g/ml; 1.063; 1.065; 1.065 g/mL at 25 °C(lit.)
• 折射率: 1.5600; n20/D 1.559(lit.)

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Air Sensitive; IRRITANT; Toxic/Harmful/Air Sensitive/Light Sensitive/Store under Argon
• RTECS编号: SI6465500
• 欧盟危险性物质标志: 有毒(Toxic) (T); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2311; UN2311
• 德国WGK号: 1
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 20/21/22-36-43-68; R:23/24/25-33
• 安全公开号: 36/37-46; S:28-45-36/37
• TSCA收录: false; 是
• GHS危险品标识: GHS06; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H302-H311-H319-H332-H334; H341-H302-H312-H332-H319-H317
• GHS警示性声明: P261-P280-P305 + P351 + P338-P342 + P311; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2311 6.1/PG 3

产品相关信息

• 纯度: 98%
• 线性分子式: C2H5OC6H4NH2

详细说明

MP Biomedicals - 05217730

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P14815

包装
100, 500 g in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. P14815.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - P296300

A toxic metabolite of Phenacetin (P294580) which exhibits high renal toxicity. p-Phenetidine also reduced COX-1 and COX-2 expression in neutrophils.

参考文献

• Green, C., et al.: Br. Med. J., 1, 162 (1969)
• Nelson, S., et al.: J. Med. Chem., 25, 753 (1969)
• Nicholls, A., et al.: Xenobiotica, 27, 1175 (1969)