N-[2-(phenylamino)ethyl]aniline

• ChemBase编号: 104898
• 分子式: C14H16N2
• 平均质量: 212.29024
• 单一同位素质量: 212.13134852
• SMILES: C(CNc1ccccc1)Nc1ccccc1
• Canonical SMILES: C(Nc1ccccc1)CNc1ccccc1
• InChI: InChI=1S/C14H16N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
• InChIKey: NOUUUQMKVOUUNR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(phenylamino)ethyl]aniline
• IUPAC传统名: diphenylethylenediamine
• 别名: 1,2-双苯胺基乙烷; N,N′-乙烯基二苯胺; 醛的 Wanzlick 试剂; N,N′-二苯基乙二胺; 1,2-双苯胺基乙烷; 1,2-Dianilinoethane; N,N′-Ethylenedianiline; Wanzlick’s Reagent for aldehydes; N,N′-Diphenylethylenediamine; N,N'-Diphenylethylenediamine; 1,2-DIANILINOETHANE; Wanzlick's Reagent; 1,2-Dianilinoethane; N-[2-(phenylamino)ethyl]aniline

登记号

• CAS号: 150-61-8
• EC号: 205-765-6
• MDL号: MFCD00003019
• Beilstein号: 646740
• 默克索引号: 142990
• PubChem SID: 162092112; 24893708
• PubChem CID: 67422

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.6163318
• LogD (pH = 7.4): 2.7190452
• Log P: 2.7205229
• 摩尔折射率: 70.5346 cm^3
• 极化性: 25.94363 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 64-68°C; 65-67 °C; 65-67 °C(lit.); 65-67°C; 67 - 69°C
• 沸点: 228°C/12mm
• 疏水性(logP): 3.124

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: KV4800000
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 20/21/22; 36/37/38
• 安全公开号: 26-36; 9-36/37
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H311-H332; H315-H319-H335
• GHS警示性声明: P261-P301+P310-P361-P302+P352-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (NT); 95%; 98%; 98+%
• 级别: purum
• 线性分子式: C6H5NHCH2CH2NHC6H5

详细说明

MP Biomedicals - 05217902

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157604

Off-white to tan crystals.

Sigma Aldrich - D27004

Other Notes
残留物主要为 1,4-二苯基哌嗪
包装
25, 100 g in poly bottle
5 g in glass bottle
Application
与醛类化合物形成结晶咪唑烷。1 含氮配体。2

Sigma Aldrich - 42747

Other Notes
基团保护试剂，生成结晶衍生物1,2,3

参考文献

• Forms crystalline imidazolidines with aldehydes in the presence of AcOH; ketones are unreactive: Chem. Ber., 86, 1463 (1953). Can be used as a trapping agent for aldehydes where further reaction could occur: Chem. Ber., 92, 530 (1959); the free aldehyde can be released by acid hydrolysis. Imidazolidine formation can also be catalyzed by 2,3-Dichloro-5,6-dicyanobenzoquinone, A11879: Tetrahedron, 51, 5813 (1995). See also N,N'-Dimethylethylenediamine, L02204.