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| CAS No.: | 84-92-4 |
|---|---|
| Name: | 5,6-diaminonaphthalene-1-sulphonic acid |
| Molecular Structure: | |
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| Formula: | C10H10N2O3S |
| Molecular Weight: | 238.267 |
| Synonyms: | 1-Naphthalenesulfonic acid, 5,6-diamino-;5,6-Diaminonaphthalene-1-sulphonic acid; |
| EINECS: | 201-574-7 |
| Density: | 1.579 g/cm3 |
| PSA: | 114.79000 |
| LogP: | 3.49410 |
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Specification
This chemical has the systematic name 5,6-Diaminonaphthalene-1-sulfonic acid, and it's also named as 1-Naphthalenesulfonic acid, 5,6-diamino-. With the molecular formula of C10H10N2O3S, its molecular weight is 238.263. The CAS registry number of this chemical is 84-92-4.
Other characteristics of the 5,6-Diaminonaphthalene-1-sulfonic acid can be summarised as followings: (1)ACD/LogP: -0.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.81; (4)ACD/LogD (pH 7.4): -3.96; (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: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.23 Å2; (13)Index of Refraction: 1.756; (14)Molar Refractivity: 61.89 cm3; (15)Molar Volume: 150.8 cm3; (16)Polarizability: 24.53×10-24cm3; (17)Surface Tension: 87.1 dyne/cm; (18)Density: 1.579 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)c2c1ccc(c(c1ccc2)N)N
2.InChI: InChI=1/C10H10N2O3S/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)16(13,14)15/h1-5H,11-12H2,(H,13,14,15)
3.InChIKey: AWXNJVXWJMGHMQ-UHFFFAOYAI