108414-96-6 ((Glycine,N-[2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]-N-[2-[bis(carboxymethyl)amino]propyl]-)

快速询单

结构式：

Glycine,N-[2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]-N-[2-[bis(carboxymethyl)amino]propyl]-MOL文件

CAS号：

108414-96-6

英文名称：

Glycine,N-[2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]-N-[2-[bis(carboxymethyl)amino]propyl]-

分子式：

C₂₃H₃₀N₄O₁₀S

分子量：

554.570105075836

Glycine,N-[2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]-N-[2-[bis(carboxymethyl)amino]propyl]-(108414-96-6)名称与标识符

名称

英文别名：

Glycine,N-[2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]-N-[2-[bis(carboxymethyl)amino]propyl]-;Glycine, N-[2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]-N-[2-[bis(carboxymethyl)amino]propyl]-;

标识符

InChIKey：

FZDFGHZZPBUTGP-UHFFFAOYSA-N

Inchi：

1S/C23H30N4O10S/c1-15(26(10-20(30)31)11-21(32)33)7-25(9-19(28)29)8-18(27(12-22(34)35)13-23(36)37)6-16-2-4-17(5-3-16)24-14-38/h2-5,15,18H,6-13H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)

SMILES：

C(O)(=O)CN(CC(N(CC(O)=O)CC(O)=O)CC1=CC=C(N=C=S)C=C1)CC(N(CC(O)=O)CC(O)=O)C

Glycine,N-[2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]-N-[2-[bis(carboxymethyl)amino]propyl]-(108414-96-6)物化性质

实验特性

PSA : 208.58
沸点 : 854.9±65.0 °C(Predicted)
酸度系数(pKa) : 1.76±0.10(Predicted)
密度 : 1.41±0.1 g/cm3(Predicted)

计算特性

精确分子量 : 554.1684

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