155-11-3 (5-氟-2,4-嘧啶二胺,2,4-Pyrimidinediamine,5-fluoro-)

快速询单

结构式：

5-氟-2,4-嘧啶二胺MOL文件

CAS号：

155-11-3

中文名称：

5-氟-2,4-嘧啶二胺

英文名称：

2,4-Pyrimidinediamine,5-fluoro-

分子式：

C₄H₅FN₄

分子量：

128.107702970505

5-氟-2,4-嘧啶二胺(155-11-3)名称与标识符

名称

中文别名：

(9ci)-5-氟-2,4-嘧啶二胺;5-氟-2,4-嘧啶二胺;

英文别名：

2,4-Pyrimidinediamine,5-fluoro-;2,4-Pyrimidinediamine, 5-fluoro- (9CI);5-fluoropyrimidine-2,4-diamine;5-fluoro-2,4-pyrimidinediamine;AC1L5SS9;AC1Q4O69;AR-1G8237;CTK4C8527;NSC81284;SureCN655268;(2-amino-5-fluoro-pyrimidin-4-yl)amine;RMTFEZUZAHJEFW-UHFFFAOYSA-N;SB56990;2,4-Pyrimidinediamine,5-fluoro-(9ci);Z1255445671;155-11-3;EN300-804980;SCHEMBL655268;5-fluoro-2,4-pyrmidinediamine;DTXSID70292273;2,4-Pyrimidinediamine, 5-fluoro-;CCG-40437;NSC-81284;AKOS017515575;

标识符

InChIKey：

RMTFEZUZAHJEFW-UHFFFAOYSA-N

Inchi：

1S/C4H5FN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)

SMILES：

FC1=CN=C(N)N=C1N

5-氟-2,4-嘧啶二胺(155-11-3)物化性质

实验特性

LogP : 0.94250
PSA : 77.82
折射率 : 1.65
沸点 : 376.4°Cat760mmHg
闪点 : 181.4°C
密度 : 1.513

计算特性

精确分子量 : 128.04995
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 0
同位素质量 : 128.05
重原子数量 : 9
复杂度 : 98.6
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） : -0.4
互变异构体数量 : 9
表面电荷 : 0
拓扑分子极性表面积 : 77.8Å²

5-氟-2,4-嘧啶二胺(155-11-3)推荐厂家更多厂家(2)

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