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29674-65-5

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Basic Information
CAS No.: 29674-65-5
Name: 4-amino-6-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-3-[(2,5-disulphophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid
Molecular Structure:
Molecular Structure of 29674-65-5 (4-amino-6-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-3-[(2,5-disulphophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid)
Formula: C29H26ClN9O18S5
Molecular Weight: 984.3442
Synonyms: 4-amino-6-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-3-[(2,5-disulphophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid;4-Amino-6-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-3-[(2,5-disulfophenyl)azo]-5-hydroxy-2,7-naphthalenedisulfonic acid
EINECS: 249-768-0
Density: 1.98 g/cm3
PSA: 0.00000
LogP: 0.00000
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Specification

The 4-Amino-6-((5-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-3-((2,5-disulphophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonic acid, with the CAS registry number 29674-65-5, is also known as 2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-[2-(2,5-disulfophenyl)diazenyl]-5-hydroxy-. Its EINECS registry number is 249-768-0. This chemical's molecular formula is C29H26ClN9O18S5 and molecular weight is 984.34424. Its systematic name is called 5-amino-3-[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]azo-6-(2,5-disulfophenyl)azo-4-hydroxy-naphthalene-2,7-disulfonic acid.

Physical properties of 4-Amino-6-((5-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-3-((2,5-disulphophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonic acid: (1)# of Rule of 5 Violations: 3; (2)#H bond acceptors: 27; (3)#H bond donors: 9; (4)#Freely Rotating Bonds: 17; (5)Polar Surface Area: 478.6 Å2; (6)Index of Refraction: 1.795; (7)Molar Refractivity: 210.87 cm3; (8)Molar Volume: 495.3 cm3; (9)Surface Tension: 99.5 dyne/cm; (10)Density: 1.98 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S(O)(=O)=O)S(O)(=O)=O)c(N)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c4)S(O)(=O)=O)nc(OCCOCC)n5
(2)InChI: InChI=1/C29H26ClN9O18S5/c1-2-56-7-8-57-29-34-27(30)33-28(35-29)32-14-3-5-18(59(44,45)46)16(11-14)36-39-25-21(62(53,54)55)10-13-9-20(61(50,51)52)24(23(31)22(13)26(25)40)38-37-17-12-15(58(41,42)43)4-6-19(17)60(47,48)49/h3-6,9-12,40H,2,7-8,31H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,32,33,34,35)
(3)InChIKey: ADAOGOICTXLZQC-UHFFFAOYAS