19986-23-3 ((Propyl-1,1-t2 alcohol(8CI))

快速询单

结构式：

Propyl-1,1-t2 alcohol(8CI)MOL文件

CAS号：

19986-23-3

英文名称：

Propyl-1,1-t2 alcohol(8CI)

分子式：

C₃H₈O

分子量：

64.1112399101257

Propyl-1,1-t2 alcohol(8CI)(19986-23-3)名称与标识符

名称

英文别名：

Propyl-1,1-t2 alcohol(8CI);PROPANOL-N, [1-3H];19986-23-3;Propanol-N,[1-3h];1,1-Ditritiopropan-1-ol;

标识符

InChIKey：

BDERNNFJNOPAEC-WTJCDBBSSA-N

Inchi：

1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i3T2

SMILES：

OC([3H])([3H])CC

Propyl-1,1-t2 alcohol(8CI)(19986-23-3)物化性质

实验特性

LogP : 0.38870
PSA : 20.23000

计算特性

精确分子量 : 64.074
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 64.074
重原子数量 : 4
复杂度 : 7.2
同位素原子数量 : 2
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） : 0.3
拓扑分子极性表面积 : 20.2A^2

Propyl-1,1-t2 alcohol(8CI)(19986-23-3)相关文献

1. Alcohols as molecular probes in ionic liquids: evidence for nanostructuration
Inês C. M. Vaz,Arijit Bhattacharjee,Marisa A. A. Rocha,Jo?o A. P. Coutinho,Margarida Bastos,Luís M. N. B. F. Santos Phys. Chem. Chem. Phys. 2016 18 19267
2. Solvation of alcohols in ionic liquids – understanding the effect of the anion and cation
Inês C. M. Vaz,Margarida Bastos,Carlos E. S. Bernardes,José N. Canongia Lopes,Luís M. N. B. F. Santos Phys. Chem. Chem. Phys. 2018 20 2536
3. Biomimetic catalysis of nitrite reductase enzyme using copper complexes in chemical and electrochemical reduction of nitrite
Millena P. Ferreira,Caio B. Castro,Jo?o Honorato,Sheng He,Walber Gon?alves Guimar?es Júnior,Charlene Esmieu,Eduardo E. Castellano,André F. de Moura,Daniela R. Truzzi,Otaciro R. Nascimento,Antoine Simonneau,Caterina G. C. Marques Netto Dalton Trans. 2023 52 11254
4. Molecular interactions between ammonium-based ionic liquids and molecular solvents: current progress and challenges
Varadhi Govinda,Pannuru Venkatesu,Indra Bahadur Phys. Chem. Chem. Phys. 2016 18 8278
5. Multicomponent diffusion coefficients from microfluidics using Raman microspectroscopy
Christine Peters,Ludger Wolff,Sandra Haase,Julia Thien,Thorsten Brands,Hans-Jürgen Ko?,André Bardow Lab Chip 2017 17 2768
6. Sorption of large molecules by keratin
G. King Trans. Faraday Soc. 1947 43 552
7. Metal and metalloid determination in biodiesel and bioethanol
Raquel Sánchez,Carlos Sánchez,Charles-Philippe Lienemann,José-Luis Todolí J. Anal. At. Spectrom. 2015 30 64
8. Separating mixtures by exploiting molecular packing effects in microporous materials
Rajamani Krishna Phys. Chem. Chem. Phys. 2015 17 39
9. Adsorption IV.—Adsorption by coconut charcoal from binary mixtures of saturated vapours. The systems methyl alcohol-benzene, ethyl alcohol-benzene, N-propyl alcohol-benzene, and N-butyl alcohol-benzene
F. G. Tryhorn,W. F. Wyatt Trans. Faraday Soc. 1928 24 36
10. The influence of hydroxy groups on the adsorption of three-carbon alcohols on Ni(111), Pd(111) and Pt(111) surfaces: a density functional theory study within the D3 dispersion correction
Paulo C. D. Mendes,Rafael Costa-Amaral,Janaina F. Gomes,Juarez L. F. Da Silva Phys. Chem. Chem. Phys. 2019 21 8434