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