25079-96-3 ((Acetamide,N-[(4-methylphenyl)methyl]-)

快速询单

结构式：

Acetamide,N-[(4-methylphenyl)methyl]-MOL文件

CAS号：

25079-96-3

英文名称：

Acetamide,N-[(4-methylphenyl)methyl]-

分子式：

C₁₀H₁₃NO

分子量：

163.216322660446

Acetamide,N-[(4-methylphenyl)methyl]-(25079-96-3)名称与标识符

名称

英文别名：

Acetamide,N-[(4-methylphenyl)methyl]-;N-[(4-methylphenyl)methyl]acetamide;Methyl(4-methylbenzyl)formamide;N-(4-Methylbenzyl)acetamide;VSKJCTSEACBXRC-UHFFFAOYSA-N;N-(4-methyl-benzyl)-acetamide;GS-0457;N-((4-METHYLPHENYL)METHYL)ACETAMIDE;AKOS003863288;SCHEMBL171709;1-Hydroxy-2-pyridinethionesodium salt;N-(p-methylbenzyl)acetamide;DTXSID20179767;25079-96-3;

标识符

InChIKey：

VSKJCTSEACBXRC-UHFFFAOYSA-N

Inchi：

1S/C10H13NO/c1-8-3-5-10(6-4-8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12)

SMILES：

O=C(C)NCC1C=CC(C)=CC=1

Acetamide,N-[(4-methylphenyl)methyl]-(25079-96-3)物化性质

实验特性

PSA : 29.1
折射率 : 1.519
沸点 : 347.1°C at 760 mmHg
闪点 : 204.3°C
密度 : 1.013

计算特性

精确分子量 : 163.09979
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 2
同位素质量 : 163.099714
重原子数量 : 12
复杂度 : 148
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.3
拓扑分子极性表面积 : 29.1

Acetamide,N-[(4-methylphenyl)methyl]-(25079-96-3)相关文献

1. Chemoselective flow hydrogenation approaches to isoindole-7-carboxylic acids and 7-oxa-bicyclio[2.2.1]heptanes
L. Hizartzidis,M. Tarleton,C. P. Gordon,A. McCluskey RSC Adv. 2014 4 9709
2. Chemoselective flow hydrogenation approaches to isoindole-7-carboxylic acids and 7-oxa-bicyclio[2.2.1]heptanes
L. Hizartzidis,M. Tarleton,C. P. Gordon,A. McCluskey RSC Adv. 2014 4 9709
3. Quinazolinone-1,2,3-triazole-acetamide conjugates as potent α-glucosidase inhibitors: synthesis, enzyme inhibition, kinetic analysis, and molecular docking study
Sara Moghadam Farid,Aida Iraji,Somayeh Mojtabavi,Mehrnaz Ghasemi,Mohammad Ali Faramarzi,Mohammad Mahdavi,Maliheh Barazandeh Tehrani,Tahmineh Akbarzadeh,Mina Saeedi RSC Med. Chem. 2023 14 520
4. Unprecedented iron-catalyzed selective hydrogenation of activated amides to amines and alcohols
Jai Anand Garg,Subrata Chakraborty,Yehoshoa Ben-David,David Milstein Chem. Commun. 2016 52 5285
5. Acetic acid as a catalyst for the N-acylation of amines using esters as the acyl source
Daniel D. Sanz Sharley,Jonathan M. J. Williams Chem. Commun. 2017 53 2020
6. Acetic acid as a catalyst for the N-acylation of amines using esters as the acyl source
Daniel D. Sanz Sharley,Jonathan M. J. Williams Chem. Commun. 2017 53 2020
7. Use of ion exchange resins to trap electrogenerated intermediates: acetamidation of hydrocarbons
Alan Bewick,John M. Mellor,B. Stanley Pons J. Chem. Soc. Chem. Commun. 1978 738

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