3-Amino-4-hydroxy-N-methylbenzenesulphonamide monohydrochloride supplier

Name
2-AMINO-1-PHENOL 4-METHYLSULFONAMIDE
EINECS 286-416-5
CAS No. 85237-56-5
Density
Solubility
Melting Point
Formula C₇H₁₀N₂O₃S^.HCl
Boiling Point 407 °C at 760 mmHg
Molecular Weight 238.69
Flash Point 199.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Benzenesulfonamide,3-amino-4-hydroxy-N-methyl-, monohydrochloride (9CI);3-Amino-4-hydroxy-N-methylbenzenesulphonamide monohydrochloride;2-Amino-1-phenol 4-methylsulfonamide;
PSA 114.79000
LogP 2.12520

3-Amino-4-hydroxy-N-methylbenzenesulphonamide monohydrochloride Specification

The IUPAC name of 3-Amino-4-hydroxy-N-methylbenzenesulphonamide monohydrochloride is 3-amino-4-hydroxy-N-methylbenzenesulfonamide hydrochloride. With the CAS registry number 85237-56-5, it is also named as 2-Amino-1-phenol 4-methylsulfonamide. In addition, its molecular formula is C₇H₁₀N₂O₃S^.HCl and its molecular weight is 238.69.

The other characteristics of 3-Amino-4-hydroxy-N-methylbenzenesulphonamide monohydrochloride can be summarized as: (1)EINECS: 286-416-5; (2)ACD/LogP: -0.58; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.58; (5)ACD/LogD (pH 7.4): -0.68; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 11.42; (9)ACD/KOC (pH 7.4): 9.06; (10)#H bond acceptors: 5; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 58.23 Å²; (14)Flash Point: 199.9 °C; (15)Enthalpy of Vaporization: 68.44 kJ/mol; (16)Boiling Point: 407 °C at 760 mmHg; (17)Vapour Pressure: 3.33E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.O=S(=O)(c1ccc(O)c(N)c1)NC
(2)InChI: InChI=1/C7H10N2O3S.ClH/c1-9-13(11,12)5-2-3-7(10)6(8)4-5;/h2-4,9-10H,8H2,1H3;1H
(3)InChIKey: GHHAVLSLVYARGK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H10N2O3S.ClH/c1-9-13(11,12)5-2-3-7(10)6(8)4-5;/h2-4,9-10H,8H2,1H3;1H
(5)Std. InChIKey: GHHAVLSLVYARGK-UHFFFAOYSA-N

Product Name

2-AMINO-1-PHENOL 4-METHYLSULFONAMIDE

3-Amino-4-hydroxy-N-methylbenzenesulphonamide monohydrochloride Specification

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