CAS 56-37-1|CAS 53-37-1|benzyltriethylazanium chloride|benzyltriethylazanium chloride|Benzyltriethylammoniumchloride|N-Benzyl-N,N-diethylethanaminium chloride|Benzyltriethylammonium chloride 99%|Ben...

基本信息

化学结构

分子式

C₁₃H₂₂ClN

分子量

227.77348

精确质量

227.14407739

电荷

InChI

InChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1

InChIKey

HTZCNXWZYVXIMZ-UHFFFAOYSA-M

Canonic Smiles

CC[N+](Cc1ccccc1)(CC)CC.[Cl-]

Isomeric Smiles

[N+](CC)(CC)(CC)Cc1ccccc1.[Cl-]

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-1.1772702

LogD (pH = 7.4)

-1.1772702

Log P

-1.1772702

摩尔折射率

74.7601

极化性

24.744455

极化表面积

0.0

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

benzyltriethylazanium chloride

IUPAC标准名

benzyltriethylazanium chloride

别名

BenzyltriethylammoniumchlorideN-Benzyl-N,N-diethylethanaminium chlorideBenzyltriethylammonium chloride 99%Benzyltriethylammonium chloride苄基三乙基氯化铵Benzyl triethylammonium chlorideBTEAC三乙基苄基氯化铵TEBA

名称和标识

数据登录号

MDL号

MFCD00011824

CAS号

56-37-153-37-1

EC号

200-270-1

PubChem SID

2484878616203517324848415

Beilstein号

3574984

PubChem CID

66133

数据登录号

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

Sigma Aldrich

146552

包装
25, 100, 500 g in glass bottle

描述信息

参考文献

PubChem文献

数据源提供

• For use in the formation of polysubstituted cyclopropanes by carbene-type addition to double bonds, see Ethyl chloroacetate, A15554.

• For use in the dialkylation of malonate esters to give cyclopropane derivatives, see: Synthesis, 54 (1985); Org. Synth. Coll., 7, 411 (1993).

• Phase-transfer catalyst (see Appendix 2) which has found wide application in the generation of carbenes from haloforms and related precursors: Org. Synth. Coll., 7, 12 (1990); 8, 223 (1993). Dihalocarbenes have been used to convert primary amines (t-butylamine) to isonitriles: Org. Synth. Coll., 6, 232 (1988), and in the dehydration of amides, thioamides and oximes to nitriles: Tetrahedron Lett., 2121 (1973). Ureas give cyanamides.

• In combination with NaBr in acetonitrile, has been used for the mono-dealkylation of phosphonate diesters: Synthesis, 453 (1983).

参考文献

生物活性

PubChem BioAssay

生物活性