CAS 1937-37-7|dipotassium 4-amino-3-[2-(4-{4-[2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate|ERIE BLACK|disodium 4-amino...

基本信息

化学结构

分子式

C₃₄H₂₅N₉Na₂O₇S₂

分子量

781.72794

精确质量

781.11137475

电荷

InChI

InChI=1S/C34H27N9O7S2.2Na/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23;;/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b41-38?,42-40?,43-39+;;

InChIKey

XRPLBRIHZGVJIC-FCRDMDBBSA-L

Canonic Smiles

Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric Smiles

[Na+].[Na+].Nc1ccc(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2c(N)c3c(cc2S(=O)(=O)[O-])cc(c(/N=N/c2ccccc2)c3O)S(=O)(=O)[O-])c(N)c1

计算属性

JChem

Acid pKa

-2.8697045

质子受体

质子供体

LogD (pH = 5.5)

3.0805554

LogD (pH = 7.4)

2.6554675

Log P

5.953135

摩尔折射率

205.6851

极化性

75.50836

极化表面积

286.85

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

IUPAC传统名

dipotassium 4-amino-3-[2-(4-{4-[2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate disodium 4-amino-3-[2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate

别名

ERIE BLACKChlorazole Black EDirect Black 38Chlorazol Black氯唑黑EChlorazol Black EAzo BlackC.I. 30235

IUPAC标准名

disodium 4-amino-3-[2-(4-{4-[2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate disodium 4-amino-3-[2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate

名称和标识

数据登录号

CAS号

MDL号

Color Index Number

PubChem SID

EC号