6629-26-1 (sodium;3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid,Sodium;3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic Acid)

快速询单

结构式：

sodium;3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acidMOL文件

CAS号：

6629-26-1

中文名称：

sodium;3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid

英文名称：

Sodium;3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic Acid

分子式：

C₁₇H₁₅N₃NaO₆S₂

分子量：

444.437272310257

sodium;3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid(6629-26-1)名称与标识符

名称

英文别名：

sodium,3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid;3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid;sodium;NSC58046;NSC-58046;6629-26-1;

标识符

InChIKey：

ZOQLBEREMFTVSI-RZLHGTIFSA-N

Inchi：

1S/C17H15N3O6S2.Na/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);/q;+1/b20-19+;

SMILES：

S(C1C=C(C=C2C(=CC=CC2=1)S(=O)(=O)O)/N=N/C1C=CC(=CC=1C)N)(=O)(=O)O.[Na+]

sodium;3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid(6629-26-1)物化性质

实验特性

LogP : 6.38200
PSA : 176.24000

计算特性

精确分子量 : 444.03000
氢键供体数量 : 3
氢键受体数量 : 9
可旋转化学键数量 : 4
同位素质量 : 444.02999684g/mol
重原子数量 : 29
复杂度 : 789
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 : 2
拓扑分子极性表面积 : 176Å²

sodium;3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid(6629-26-1)相关文献

1. Hybrid Polymeric Iodoplumbates Constructed from Morpholine and Its Derivatives: Structures and Properties
Hao-Hong Li,Zhi-Rong Chen,Li-Chuan Cheng,Yun-Jie Wang,Miao Feng,Min Wang Dalton Trans. 2010 39 11000
2. Hybrid Polymeric Iodoplumbates Constructed from Morpholine and Its Derivatives: Structures and Properties
Hao-Hong Li,Zhi-Rong Chen,Li-Chuan Cheng,Yun-Jie Wang,Miao Feng,Min Wang Dalton Trans. 2010 39 11000
3. Direct sp3 C–H bond activation adjacent to nitrogen in heterocycles
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4. E-Selective semi-hydrogenation of alkynes via a sulfur-radical mediation over cyclodextrin-modified nickel nanocatalyst
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5. Synthesis, crystal structure and magnetic properties of two new dicyanamide bridged 2D and 1D complexes of Mn(ii)
Sudipta Dalai,Partha Sarathi Mukherjee,Ennio Zangrando,Nirmalendu Ray Chaudhuri New J. Chem. 2002 26 1185
6. The regiochemistry and stereochemistry of the hydroboration of allylsilanes
Ian Fleming,Nicholas J. Lawrence J. Chem. Soc. Perkin Trans. 1 1992 3309
7. Recent advances in photoinduced glycosylation: oligosaccharides, glycoconjugates and their synthetic applications
Rekha Sangwan,Pintu Kumar Mandal RSC Adv. 2017 7 26256
8. Molecular conformations. Part IX. Bicyclo[3,2,1]octane system: X-ray analysis of an enmein derivative
P. Coggon,G. A. Sim J. Chem. Soc. B 1969 413
9. Facile cobalt(iii) template synthesis of novel branched hexadentate polyamine monocarboxylates
Rasmus Barfod,Jette Eriksen,Bernard T. Golding,Anders Hammersh?i,Thomas Amos Jacobsen,Annette Langkilde,Sine Larsen,Ole M?nsted,Alan M. Sargeson,Henning Osholm S?rensen Dalton Trans. 2005 491

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