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114394-36-4

Basic Information
CAS No.: 114394-36-4
Name: Sodium 1-amine-2-naphthol-4-sulfonate
Molecular Structure:
Molecular Structure of 114394-36-4 (Sodium 1-amine-2-naphthol-4-sulfonate)
Formula: C10H8NNaO4S
Molecular Weight: 261.23
Synonyms: 1-Naphthalenesulfonicacid, 4-amino-3-hydroxy-, monoammonium salt (9CI);
PSA: 111.83000
LogP: 2.69370
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Specification

The cas register number of Sodium 1-amine-2-naphthol-4-sulfonate is 114394-36-4. It also can be called as 1-Amino-2-naphthol-4-sulfonic acid monosodium salt and the Systematic name about this chemical is sodium 4-amino-3-hydroxynaphthalene-1-sulfonate.

Physical properties about Sodium 1-amine-2-naphthol-4-sulfonate are: (1)ACD/LogP: -0.92; (2)ACD/LogD (pH 5.5): -4.37; (3)ACD/LogD (pH 7.4): -4.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 75.22Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c2c1ccccc1c(N)c(O)c2
(2)InChI: InChI=1/C10H9NO4S.Na/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1
(3)InChIKey: PIROYXPDJRYHBP-REWHXWOFAP
(4)Std. InChI: InChI=1S/C10H9NO4S.Na/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1
(5)Std. InChIKey: PIROYXPDJRYHBP-UHFFFAOYSA-M