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2,4-Pteridinediamine

更新时间:2025-09-28 20:22:39

2,4-Pteridinediamine结构式
2,4-Pteridinediamine结构式
委托求购
常用名 2,4-Pteridinediamine 英文名 2,4-Pteridinediamine
CAS号 1127-93-1 分子量 162.15200
密度 1.605g/cm3 沸点 507.4ºC at 760mmHg
分子式 C6H6N6 熔点 N/A
MSDS N/A 闪点 293.2ºC

 2,4-Pteridinediamine名称

英文名 pteridine-2,4-diamine
英文别名 更多

 2,4-Pteridinediamine物理化学性质

密度 1.605g/cm3
沸点 507.4ºC at 760mmHg
分子式 C6H6N6
分子量 162.15200
闪点 293.2ºC
精确质量 162.06500
PSA 103.60000
LogP 0.74660
InChIKey CITCTUNIFJOTHI-UHFFFAOYSA-N
SMILES Nc1nc(N)c2nccnc2n1
蒸汽压 2.03E-10mmHg at 25°C
折射率 1.844
分子结构

1、 摩尔折射率:44.93

2、 摩尔体积(cm3/mol):101.0

3、 等张比容(90.2K):339.3

4、 表面张力(dyne/cm):127.4

5、 极化率(10-24cm3):17.81

计算化学

1.疏水参数计算参考值(XlogP):-0.9

2.氢键供体数量:2

3.氢键受体数量:6

4.可旋转化学键数量:0

5.互变异构体数量:12

6.拓扑分子极性表面积104

7.重原子数量:12

8.表面电荷:0

9.复杂度:162

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

更多

1.密度(g/cm3):1.605

2.沸点(760 mmHg,ºC):507.4

3.闪点(ºC):293.2

 2,4-Pteridinediamine安全信息

海关编码 2933990090

 2,4-Pteridinediamine合成线路

 2,4-Pteridinediamine海关

海关编码 2933990090
中文概述 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 2,4-Pteridinediamine靶点实验

查看更多实验

实验名称:Binding affinity to human wild type adenosine A2B receptor expressed in Expi293F cell...
来源:ChEMBL
靶标:Adenosine receptor A2b
External Id:CHEMBL5129731
实验名称:A screen for compounds that inhibit cell wall-associated teichoic acid synthesis in S...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS704
实验名称:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
实验名称:Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:ORF 73 [Human herpesvirus 8 type M]
External Id:HMS791
实验名称:Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cell...
来源:ChEMBL
靶标:Adenosine receptor A2a
External Id:CHEMBL5129723
实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
实验名称:Binding affinity to human wild type adenosine A1 receptor expressed in Expi293F cells...
来源:ChEMBL
靶标:Adenosine receptor A1
External Id:CHEMBL5129725
实验名称:A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Chain A, Poliovirus Polymerase With Gtp
External Id:HMS750
实验名称:Inhibitory activity of 100 uM against H4Bip (2 uM) stimulated nitric oxide synthase (...
来源:ChEMBL
靶标:Nitric oxide synthase, endothelial
External Id:CHEMBL754802
实验名称:Effect on cAMP accumulation in HEK293T cells by GloSensor cAMP accumulation assay
来源:ChEMBL
靶标:N/A
External Id:CHEMBL5129745
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 2,4-Pteridinediamine英文别名

pteridine-2,4-diyldiamine
Pteridine,2,4-diamino
Pteridin-2,4-diyldiamin
Pteridine,4-diamino
2,4-Pteridinediamine
2,4-Diaminopteridine
2,4-Diamino-pteridin
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