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- 2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, potassium salt (1:1)
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| Name |
2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, ammonium salt (1:1) |
EINECS | 282-151-4 |
| CAS No. | 84100-72-1 | Density | N/A |
| PSA | 43.37000 | LogP | 2.09870 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H12N2O7S | Boiling Point | 717.6 °C at 760 mmHg |
| Molecular Weight | 352.32 | Flash Point | 387.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, monoammonium salt (9CI);Ammonium 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate;Azanium 4-amino-1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonate;http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3019694&loc=ec_rcs; |
2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, ammonium salt (1:1) Specification
The 2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, ammonium salt (1:1), with the CAS registry number 84100-72-1, is also known as Ammonium 4-amino-1,3-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate. Its EINECS number is 282-151-4. This chemical's molecular formula is C14H12N2O7S and molecular weight is 352.32. What's more, its IUPAC name is azanium 4-amino-1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonate.
Physical properties of 2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, ammonium salt (1:1) are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): -0.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 118.59 Å2; (13)Flash Point: 387.8 °C; (14)Enthalpy of Vaporization: 110.09 kJ/mol; (15)Boiling Point: 717.6 °C at 760 mmHg; (16)Vapour Pressure: 1.3E-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)O)S(=O)(=O)[O-])O.[NH4+]
(2)InChI: InChI=1S/C14H9NO7S.H3N/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);1H3
(3)InChIKey: OTBMPEMZTDBNAF-UHFFFAOYSA-N
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