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6409-55-8

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Basic Information
CAS No.: 6409-55-8
Name: 2,5-diamino-4-methoxybenzenesulphonic acid
Molecular Structure:
Molecular Structure of 6409-55-8 (2,5-diamino-4-methoxybenzenesulphonic acid)
Formula: C7H10N2O4S
Molecular Weight: 218.233
Synonyms: 1,4-Diamino-2-methoxybenzene-5-sulfonicacid;1,4-Phenylenediamine-2-methoxy-5-sulfonic acid;2,5-Diamino-4-methoxybenzenesulfonicacid;
EINECS: 229-084-9
Density: 1.55 g/cm3
PSA: 124.02000
LogP: 2.34950
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  • 2,5-diamino-4-methoxybenzenesulphonic acid CAS No.6409-55-8

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    2,5-diamino-4-methoxybenzenesulphonic acid CAS No.6409-55-8

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    COMMERCIAL NAME: 2,5-DIAMINO ANISOLE-4-SULFONIC ACID | CHEMICAL NAME: 2-AMINO-4-AMINO ANILINE-5-SULFONIC ACID | EMPIRICAL FORMULA: C7H10N2O4S |…

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Specification

The CAS registry number of Benzenesulfonic acid,2,5-diamino-4-methoxy- is 6409-55-8. This chemical is also named as 1,4-Phenylenediamine-2-methoxy-5-sulfonic acid. Its EINECS registry number is 229-084-9. In addition, its molecular formula is C7H10N2O4S and molecular weight is 218.2303. Its systematic name and IUPAC name are the same which is called 2,5-diamino-4-methoxybenzenesulfonic acid.

Physical properties about Benzenesulfonic acid,2,5-diamino-4-methoxy- are: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4.52; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 50.7 cm3; (14)Molar Volume: 140.7 cm3; (15)Surface Tension: 75.3 dyne/cm; (16)Density: 1.55 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1c(cc(OC)c(N)c1)N
(2)InChI: InChI=1/C7H10N2O4S/c1-13-6-2-5(9)7(3-4(6)8)14(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)
(3)InChIKey: RWTNAYUDAIXUBZ-UHFFFAOYAO