30582-03-7 (二甲基芘,Pyrene, dimethyl-)

快速询单

结构式：

二甲基芘MOL文件

CAS号：

30582-03-7

中文名称：

二甲基芘

英文名称：

Pyrene, dimethyl-

分子式：

C₁₈H₁₄

分子量：

230.303764820099

二甲基芘(30582-03-7)名称与标识符

名称

中文别名：

二甲基芘;

英文别名：

Pyrene, dimethyl-;1,2-dimethylpyrene;Dimethylpyrene;Pyrene,1,2-dimethyl;Pyrene,dimethyl;K9Z2B88WJ0;UNII-9C97WG0BE2;UNII-K9Z2B88WJ0;30582-03-7;74869-48-0;9C97WG0BE2;Q27272350;DTXSID70904788;Pyrene, 1,2-dimethyl-;

标识符

InChIKey：

UOUUKBKHBOFSJV-UHFFFAOYSA-N

Inchi：

1S/C18H14/c1-11-10-15-7-6-13-4-3-5-14-8-9-16(12(11)2)18(15)17(13)14/h3-10H,1-2H3

SMILES：

C12C3=CC=C4C=CC=C(C=CC1=C(C)C(C)=C3)C=24

二甲基芘(30582-03-7)物化性质

实验特性

LogP : 5.20080
PSA : 0.00000

计算特性

精确分子量 : 230.11000
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 230.109550447g/mol
重原子数量 : 18
复杂度 : 320
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） : 5.8
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 0Å²

二甲基芘(30582-03-7)相关文献

1. Synthesis of 1,2-dimethylpyrene, 1,3-dimethylpyrene and 1,2,3-trimethylpyrene
Mark A. Hempenius,Johan Lugtenburg,Jan Cornelisse J. Chem. Soc. Perkin Trans. 1 1991 635
2. Medium-sized cyclophanes. Part 31. Synthesis and electrophilic substitution of 8-substituted [2]metacyclo[2](1,3)pyrenophanes
Takehiko Yamato,Akira Miyazawa,Masashi Tashiro J. Chem. Soc. Perkin Trans. 1 1993 3127
3. Cyclophanes containing large polycyclic aromatic hydrocarbons
Parisa Ghods Ghasemabadi,Tieguang Yao,Graham J. Bodwell Chem. Soc. Rev. 2015 44 6494
4. Contents pages
J. Chem. Soc. Perkin Trans. 1 1991 P013
5. Fate of pyrene on mineral surfaces during thermal remediation as a function of temperature
Cameron P. Oden,Charles J. Werth,Luiza Notini,Lynn E. Katz Environ. Sci.: Processes Impacts 2022 24 1181
6. 220. Syntheses of hydrocarbons possibly related to carcinogenic factors in city smoke
G. R. Clemo,N. D. Ghatge J. Chem. Soc. 1956 1068
7. The detection and determination of traces of polynuclear hydrocarbons in industrial effluents and sewage. Part II. Sewage humus and treated effluents
Philip Wedgwood,Ronald L. Cooper Analyst 1954 79 163
8. Nanoribbons or weakly connected acenes? The influence of pyrene insertion on linearly extended ring systems
Qianxiang Ai,Tanner Smith,A. D. Thilanga Liyanage,Samuel M. Mazza,Sean R. Parkin,John E. Anthony,Chad Risko J. Mater. Chem. C 2021 9 16929
9. Medium-sized cyclophanes. Part XVI. Substitution versus transannular reaction of [2.2]metacyclophanes with benzoyl peroxide and cupric chloride. Importance of a cation radical intermediate in the transannular dehydrogenation
Kozaburo Nishiyama,Kazuo Hata,Takeo Sato J. Chem. Soc. Perkin Trans. 2 1974 577
10. Development of a methodology for accurate quantitation of alkylated polycyclic aromatic hydrocarbons in petroleum and oil contaminated environmental samples
Chun Yang,Gong Zhang,Zhendi Wang,Zeyu Yang,Bruce Hollebone,Mike Landriault,Keval Shah,Carl E. Brown Anal. Methods 2014 6 7760