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| CAS No.: | 86244-36-2 |
|---|---|
| Name: | 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulpho-2-naphthyl)azo]naphthalene-2,7-disulphonic acid |
| Molecular Structure: | |
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| Formula: | C31H24ClN7O10S3 |
| Molecular Weight: | 786.21 |
| Synonyms: | 2,7-Naphthalenedisulfonicacid,5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfo-2-naphthalenyl)azo]-(9CI);5-[[4-Chloro-6-(ethyl-phenyl-amino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfo-2-naphthyl)azo]naphthalene-2,7-disulfonic acid; |
| EINECS: | 289-211-9 |
| Density: | 1.72 g/cm3 |
| PSA: | 287.14000 |
| LogP: | 9.90950 |
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- Total:4 Page 1 of 1 1
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Specification
The 2,7-Naphthalenedisulfonicacid,5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(1-sulfo-2-naphthalenyl)diazenyl]- has the CAS registry number 86244-36-2. Its EINECS number is 289-211-9. This chemical's molecular formula is C31H24ClN7O10S3 and molecular weight is 786.21. What's more, its systematic name is 5-[[4-chloro-6-(ethyl-phenyl-amino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfo-2-naphthyl)azo]naphthalene-2,7-disulfonic acid.
Physical properties of 2,7-Naphthalenedisulfonicacid,5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(1-sulfo-2-naphthalenyl)diazenyl]- are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 17; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 287.14 Å2; (7)Index of Refraction: 1.769; (8)Molar Refractivity: 189.49 cm3; (9)Molar Volume: 456.3 cm3; (10)Polarizability: 75.12×10-24cm3; (11)Surface Tension: 79.4 dyne/cm; (12)Density: 1.72 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(n5)N(CC)c6ccccc6
(2)InChI: InChI=1S/C31H24ClN7O10S3/c1-2-39(19-9-4-3-5-10-19)31-35-29(32)34-30(36-31)33-23-16-20(50(41,42)43)14-18-15-24(51(44,45)46)26(27(40)25(18)23)38-37-22-13-12-17-8-6-7-11-21(17)28(22)52(47,48)49/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36)
(3)InChIKey: MAHODVOXZFERKN-UHFFFAOYSA-N