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123848-64-6

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Basic Information
CAS No.: 123848-64-6
Name: 2-AMINO-4-METHYLAMINOBENZENE SULFONIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 123848-64-6 (2-AMINO-4-METHYLAMINOBENZENE SULFONIC ACID)
Formula: C7H10N2O3S
Molecular Weight: 202.234
Synonyms: 1-Amino-3-(methylamino)-4-benzenesulfonicacid;4-Amino-2-(methylamino)benzenesulfonic acid;4-Amino-2-methylamino-1-benzenesulfonicacid;
Density: 1.51 g/cm3
PSA: 100.80000
LogP: 2.29220
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Specification

The Benzenesulfonic acid, 4-amino-2-(methylamino)-, with the CAS registry number of 123848-64-6, is also known as 4-Amino-2-methylamino-1-benzenesulfonicacid. This chemical's molecular formula is C7H10N2O3S and molecular weight is 202.2309. What's more, its systematic name is called 4-Amino-2-(methylamino)benzenesulfonic acid.

Physical properties about Benzenesulfonic acid, 4-amino-2-(methylamino)- are: (1)ACD/LogP: -2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5; (4)ACD/LogD (pH 7.4): -5; (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: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 100.8 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 48.995 cm3; (15)Molar Volume: 133.947 cm3; (16)Surface Tension: 75.438 dyne/cm; (17)Density: 1.51 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c1ccc(cc1NC)N
(2) InChI: InChI=1/C7H10N2O3S/c1-9-6-4-5(8)2-3-7(6)13(10,11)12/h2-4,9H,8H2,1H3,(H,10,11,12)
(3) InChIKey: VXAOMQMMCGVYOO-UHFFFAOYAQ