Basic information
- Name:
Benzenesulfonamide,3-amino-4-hydroxy-N-methyl-
- Superlist Name:
- 2-Aminophenol-4-Sulfonmethylamide
- CAS No.:
80-23-9
- Molecular Structure:
- Formula:
- C7H10N2O3S
- Molecular Weight:
- 202.23
- Synonyms:
- Metanilamide, 4-hydroxy-N-methyl- (7CI);Metanilamide,4-hydroxy-N1-methyl- (8CI);2-Amino-4-(methylsulfamoyl)phenol;2-Amino-N-methyl-1-phenol-4-sulfonamide;2-Aminophenol-4-sulfonic acid methylamide;3-Amino-4-hydroxy-N-methylbenzenesulfonamide;4-Hydroxy-N1-methylmetanilamide;1-Phenol-4-sulfonamide,2-amino-N-methyl- (6CI);3-Amino-4-hydroxy-N-methylbenzenesulfonamide;
- EINECS:
- 201-262-0
- Density:
- 1.436 g/cm3
- Melting Point:
- 124 °C
- Boiling Point:
- 407 °C at 760 mmHg
- Flash Point:
- 199.9 °C
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Specification
The 2-Aminophenol-4-Sulfonmethylamide, with the CAS registry number 80-23-9 and EINECS registry number 201-262-0, has the systematic name and IUPAC name of 3-amino-4-hydroxy-N-methylbenzenesulfonamide. It belongs to the product category of Intermediates of Dyes and Pigments. And the molecular formula of the chemical is C7H10N2O3S.
The characteristics of 2-Aminophenol-4-Sulfonmethylamide are as followings: (1)ACD/LogP: -0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.58; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.42; (8)ACD/KOC (pH 7.4): 9.06; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.23 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 48.99 cm3; (15)Molar Volume: 140.7 cm3; (16)Polarizability: 19.42×10-24cm3; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.436 g/cm3; (19)Flash Point: 199.9 °C; (20)Enthalpy of Vaporization: 68.44 kJ/mol; (21)Boiling Point: 407 °C at 760 mmHg; (22)Vapour Pressure: 3.33E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccc(O)c(N)c1)NC
(2)InChI: InChI=1/C7H10N2O3S/c1-9-13(11,12)5-2-3-7(10)6(8)4-5/h2-4,9-10H,8H2,1H3
(3)InChIKey: NFNLMGYLSDEJKS-UHFFFAOYAC
