147597-66-8
中文名称
NOTA-BN-NCS
英文名称
2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid
CAS
147597-66-8
分子式
C20H26N4O6S
分子量
450.51
MOL 文件
147597-66-8.mol
更新日期
2023/07/28 09:52:23
147597-66-8 结构式
基本信息
中文别名
NOTA-P-苯-NCS2-(4-异硫氰基苯基)-1,4,7-三氮杂环壬烷-1,4,7-三乙酸
六氢-2-[(4-异硫代苯基)甲基]-1H-1,4,7-三唑啉-1,4,7-三乙酸
2-[(5Z)-4,7-二(羧甲基)-3-[(4-异硫氰酸基苯基)甲基]-2,3,8,9-四氢-1,4,7-三氮杂环壬烷-1-基]乙酸
英文别名
NOTA-Bn-NCSNOTA-p-NCS-Bn
(p-SCN-Bn)-NOTA
p-SCN-Bn-NOTA(B-605)
2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-tri...
2-S-(4-Aminobenzyl)-1, 4, 7-triazacyclononane-1, 4, 7-triacetic acid
2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid
2-S-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid, ≥94%
1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-2-[(4-isothiocyanatophenyl)methyl]-
2-[4,7-bis(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-1,4,7-triazonan-1-yl]aceticaci
物理化学性质
沸点716.5±60.0 °C(Predicted)
密度1.37±0.1 g/cm3(Predicted)
酸度系数(pKa)2.12±0.10(Predicted)
InChIInChI=1S/C20H26N4O6S/c25-18(26)11-22-5-6-23(12-19(27)28)10-17(24(8-7-22)13-20(29)30)9-15-1-3-16(4-2-15)21-14-31/h1-4,17H,5-13H2,(H,25,26)(H,27,28)(H,29,30)
InChIKeyABEIJMWLNYUWMD-UHFFFAOYSA-N
SMILESN1(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1CC1=CC=C(N=C=S)C=C1