-
Name
1-Amino-4-[(2,5-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt
- EINECS
- CAS No. 71550-19-1
- Article Data3
- CAS DataBase
- Density
- Solubility
- Melting Point
- Formula C22H17N2NaO5S
- Boiling Point
- Molecular Weight 444.44
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2-Anthracenesulfonicacid, 1-amino-4-[(2,5-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-,monosodium salt (9CI);
- PSA 137.77000
- LogP 5.04370
2-Anthracenesulfonic acid, 1-amino-4-[(2,5-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-, sodiumsalt (1:1) Specification
This chemical is called 2-Anthracenesulfonic acid, 1-amino-4-[(2,5-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-, sodiumsalt (1:1), and it's also named as sodium 1-amino-4-[(2,5-dimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate. With the molecular formula of C22H17N2NaO5S, its molecular weight is 444.44. The CAS registry number of this chemical is 71550-19-1.
Other characteristics of the 2-Anthracenesulfonic acid, 1-amino-4-[(2,5-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-, sodiumsalt (1:1) can be summarised as followings: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 7; (3)Rotatable Bond Count: 3; (4)Tautomer Count: 12; (5)Exact Mass: 444.075587; (6)MonoIsotopic Mass: 444.075587; (7)Topological Polar Surface Area: 138; (8)Heavy Atom Count: 31; (9)Formal Charge:0; (10)Complexity: 800; (11)Isotope Atom Count: 0; (12)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(c(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)[O-])C.[Na+]
2.InChI: InChI=1/C22H18N2O5S.Na/c1-11-7-8-12(2)15(9-11)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1
3.InChIKey: PAFAWYISTWGZAG-REWHXWOFAT
Related Products
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- 2-Anthracenesulfonicacid,1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-
- 2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethyl-3-sulfophenyl)amino]-,sodium salt
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