118-21-8 ((2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]-)

快速询单

结构式：

2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]-MOL文件

CAS号：

118-21-8

英文名称：

2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]-

分子式：

C₁₆H₁₄N₂O₄S

分子量：

330.358362674713

2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]-(118-21-8)名称与标识符

名称

英文别名：

2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]-;5-amino-8-(4-hydroxyphenylamino)naphthalene-2-sulfonicacid;5-amino-8-(4-hydroxyanilino)naphthalene-2-sulfonic acid;5-azanyl-8-[(4-hydroxyphenyl)amino]naphthalene-2-sulfonic acid;DTXSID9059468;118-21-8;EINECS 309-392-0;SCHEMBL11508569;NS00126363;2-Naphthalenesulfonic acid, 5-amino-8-((4-hydroxyphenyl)amino)-;100258-48-8;5(or 8)-Amino-8(or 5)-((4-hydroxyphenyl)amino)naphthalene-2-sulphonic acid;2-Naphthalenesulfonic acid, 5-amino-8-[(4-hydroxyphenyl)amino]-;

标识符

InChIKey：

WMMPQNHKEHRMSH-UHFFFAOYSA-N

Inchi：

1S/C16H14N2O4S/c17-15-7-8-16(18-10-1-3-11(19)4-2-10)14-9-12(23(20,21)22)5-6-13(14)15/h1-9,18-19H,17H2,(H,20,21,22)

SMILES：

S(C1=CC=C2C(=CC=C(C2=C1)NC1C=CC(=CC=1)O)N)(=O)(=O)O

2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]-(118-21-8)物化性质

实验特性

LogP : 4.85290
PSA : 121.03000

计算特性

精确分子量 : 330.06700
氢键供体数量 : 4
氢键受体数量 : 6
可旋转化学键数量 : 3
同位素质量 : 330.06742811g/mol
重原子数量 : 23
复杂度 : 499
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.4
互变异构体数量 : 4
表面电荷 : 0
拓扑分子极性表面积 : 121Å²

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