1,3-Benzenediamine, 4,6-dinitro-N-(2-(((5-((dimethylamino)methyl)-2-fu ranyl)methyl)thio)ethyl)

• 常用名: 1,3-Benzenediamine, 4,6-dinitro-N-(2-(((5-((dimethylamino)methyl)-2-fu ranyl)methyl)thio)ethyl)
• 英文名: 1,3-Benzenediamine, 4,6-dinitro-N-(2-(((5-((dimethylamino)methyl)-2-fu ranyl)methyl)thio)ethyl)
• CAS号: 142744-17-0
• 分子量: 395.43300
• 密度: 1.402g/cm3
• 沸点: 605.6ºC at 760mmHg
• 分子式: C₁₆H₂₁N₅O₅S
• 熔点: N/A
• 闪点: 320.1ºC

名称

• 英文名: 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine

物理化学性质

• 密度: 1.402g/cm3
• 沸点: 605.6ºC at 760mmHg
• 分子式: C₁₆H₂₁N₅O₅S
• 分子量: 395.43300
• 闪点: 320.1ºC
• 精确质量: 395.12600
• PSA: 171.37000
• LogP: 4.78570
• InChIKey: HAFSYIUXFNUVMN-UHFFFAOYSA-N
• SMILES: CN(C)Cc1ccc(CSCCNc2cc(N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1
• 蒸汽压: 1.29E-14mmHg at 25°C
• 折射率: 1.668

毒性和生态

靶点实验

查看更多实验

实验名称：Ability to displace [3H]oxotremorine ([3H]-OXO-M) from mouse cerebral cortex 来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M2 External Id：CHEMBL744484

实验名称：Ratio of IC50 (muscarinic acetylcholine receptor M2) to IC50 (muscarinic acetylcholin... 来源：ChEMBL 靶标：N/A External Id：CHEMBL748231

实验名称：In vitro inhibition of human butryl cholinesterase. 来源：ChEMBL 靶标：Cholinesterase External Id：CHEMBL654880

实验名称：Ability to displace [3H]methylscopolamine ([3H]NMS) from mouse cerebral cortex 来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M2 External Id：CHEMBL744482

实验名称：Inhibition of [3H]pirenzepine binding to mouse muscarinic acetylcholine receptor M1 f... 来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M1 External Id：CHEMBL746417

实验名称：Ratio of IC50(BChE-I) to IC50(AChE-I) 来源：ChEMBL 靶标：Cholinesterases; ACHE & BCHE External Id：CHEMBL654881

实验名称：Effect on brain acetylcholine concentration in mice after intraperitoneal administrat... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL724521

实验名称：Effect on brain acetylcholine concentration in mice after intraperitoneal administrat... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL724520

实验名称：Ratio of Ki of [3H]-NMS binding to that of [3H]OXO-M binding. 来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M2 External Id：CHEMBL744485

实验名称：Approximate lethal dose in mice. 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL742504

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