1390654-64-4 ([3-(1H-pyrazol-1-yl)phenyl]amine methanesulfonate,[3-(1H-pyrazol-1-yl)phenyl]amine methanesulfonate)

快速询单

结构式：

[3-(1H-pyrazol-1-yl)phenyl]amine methanesulfonateMOL文件

CAS号：

1390654-64-4

中文名称：

[3-(1H-pyrazol-1-yl)phenyl]amine methanesulfonate

英文名称：

[3-(1H-pyrazol-1-yl)phenyl]amine methanesulfonate

分子式：

C₁₀H₁₃N₃O₃S

分子量：

255.293520689011

[3-(1H-pyrazol-1-yl)phenyl]amine methanesulfonate(1390654-64-4)名称与标识符

名称

中文别名：

3-(1H-吡唑-1-基)苯胺甲磺酸盐;

英文别名：

[3-(1H-pyrazol-1-yl)phenyl]amine methanesulfonate;3-(1H-pyrazol-1-yl)aniline methanesulfonate;

标识符

MDL：

MFCD13193914

InChIKey：

ZTVOLIHTIOTOQS-UHFFFAOYSA-N

Inchi：

1S/C9H9N3.CH4O3S/c10-8-3-1-4-9(7-8)12-6-2-5-11-12;1-5(2,3)4/h1-7H,10H2;1H3,(H,2,3,4)

SMILES：

NC1=CC=CC(N2C=CC=N2)=C1.CS(O)(=O)=O

[3-(1H-pyrazol-1-yl)phenyl]amine methanesulfonate(1390654-64-4)物化性质

计算特性

精确分子量 : 255.068
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 1
同位素质量 : 255.068
重原子数量 : 17
复杂度 : 241
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 : 2
拓扑分子极性表面积 : 107A^2

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