5227-53-2

• 常用中文名：氮杂环庚烷-2-甲酸
• 常用英文名：Azocane-2-carboxylic acid
• CAS号：5227-53-2
• 分子式：C₇H₁₃NO₂
• 分子量：143.18400
• 发布时间：2018-02-21 08:00:00
• 更新时间：2024-01-11 05:45:17

名称

• 中文名: 氮杂环庚烷-2-甲酸
• 英文名: Azepane-2-carboxylic acid
• 英文别名: azepane-2-carboxylic acid

物化性质

• 密度: 1.08g/cm3
• 沸点: 280.9ºC at 760mmHg
• 分子式: C₇H₁₃NO₂
• 分子量: 143.18400
• 闪点: 123.7ºC
• 精确质量: 143.09500
• PSA: 49.33000
• LogP: 0.93200
• 储存条件: -20°C，避光，干燥，密封
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积:49.3

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:125

  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:1

  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

安全

• 危害码 (欧洲): Xi
• 海关编码: 2933990090

合成路线

1340116-86-0 ~% 5227-53-2

文献：ELAN PHARMACEUTICALS, INC.; GALEMMO, Robert, A., Jr.; ARTIS, Dean, Richard; YE, Xiaocong, Michael; AUBELE, Danielle, L.; TRUONG, Anh, P.; BOWERS, Simeon; HOM, Roy, K.; ZHU, Yong-Liang; NEITZ, R., Jeffrey; SEALY, Jennifer; ADLER, Marc; BEROZA, Paul; ANDERSON, John, P. Patent: WO2011/79114 A1, 2011 ; Location in patent: Page/Page column 73; 74 ; WO 2011/079114 A1

502-42-1 ~% 5227-53-2

文献：ELAN PHARMACEUTICALS, INC.; GALEMMO, Robert, A., Jr.; ARTIS, Dean, Richard; YE, Xiaocong, Michael; AUBELE, Danielle, L.; TRUONG, Anh, P.; BOWERS, Simeon; HOM, Roy, K.; ZHU, Yong-Liang; NEITZ, R., Jeffrey; SEALY, Jennifer; ADLER, Marc; BEROZA, Paul; ANDERSON, John, P. Patent: WO2011/79114 A1, 2011 ; WO 2011/079114 A1

673-66-5 ~% 5227-53-2

文献：ELAN PHARMACEUTICALS, INC.; GALEMMO, Robert, A., Jr.; ARTIS, Dean, Richard; YE, Xiaocong, Michael; AUBELE, Danielle, L.; TRUONG, Anh, P.; BOWERS, Simeon; HOM, Roy, K.; ZHU, Yong-Liang; NEITZ, R., Jeffrey; SEALY, Jennifer; ADLER, Marc; BEROZA, Paul; ANDERSON, John, P. Patent: WO2011/79114 A1, 2011 ; WO 2011/079114 A1

2158-31-8 ~% 5227-53-2

文献：ELAN PHARMACEUTICALS, INC.; GALEMMO, Robert, A., Jr.; ARTIS, Dean, Richard; YE, Xiaocong, Michael; AUBELE, Danielle, L.; TRUONG, Anh, P.; BOWERS, Simeon; HOM, Roy, K.; ZHU, Yong-Liang; NEITZ, R., Jeffrey; SEALY, Jennifer; ADLER, Marc; BEROZA, Paul; ANDERSON, John, P. Patent: WO2011/79114 A1, 2011 ; WO 2011/079114 A1

26228-96-6 ~% 5227-53-2

文献：ELAN PHARMACEUTICALS, INC.; GALEMMO, Robert, A., Jr.; ARTIS, Dean, Richard; YE, Xiaocong, Michael; AUBELE, Danielle, L.; TRUONG, Anh, P.; BOWERS, Simeon; HOM, Roy, K.; ZHU, Yong-Liang; NEITZ, R., Jeffrey; SEALY, Jennifer; ADLER, Marc; BEROZA, Paul; ANDERSON, John, P. Patent: WO2011/79114 A1, 2011 ; WO 2011/079114 A1

32566-60-2 ~% 5227-53-2

文献：ELAN PHARMACEUTICALS, INC.; GALEMMO, Robert, A., Jr.; ARTIS, Dean, Richard; YE, Xiaocong, Michael; AUBELE, Danielle, L.; TRUONG, Anh, P.; BOWERS, Simeon; HOM, Roy, K.; ZHU, Yong-Liang; NEITZ, R., Jeffrey; SEALY, Jennifer; ADLER, Marc; BEROZA, Paul; ANDERSON, John, P. Patent: WO2011/79114 A1, 2011 ; WO 2011/079114 A1

上下游产品

上游产品  5
502-42-1 673-66-5 2158-31-8 26228-96-6
32566-60-2
下游产品  1
5228-33-1

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%