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CAS No.: | 5626-92-6 |
---|---|
Name: | 4-AMINO-N-FURAN-2-YLMETHYL-BENZENESULFONAMIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H12N2O3S |
Molecular Weight: | 252.294 |
Synonyms: | Sulfanilamide,N1-furfuryl- (8CI);N1-Furfurylsulfanilamide; |
Density: | 1.357g/cm3 |
Melting Point: | 153 °C(Solv: water (7732-18-5)) |
Boiling Point: | 454.5 °C at 760 mmHg |
Flash Point: | 228.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 93.71000 |
LogP: | 3.39320 |
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The Benzenesulfonamide,4-amino-N-(2-furanylmethyl)-, with CAS registry number 5626-92-6, has the systematic name of 4-amino-N-(furan-2-ylmethyl)benzenesulfonamide. Besides this, it is also called 4-Amino-N-(2-furylmethyl)benzenesulfonamide. And the chemical formula of this chemical is C11H12N2O3S.
Physical properties of Benzenesulfonamide,4-amino-N-(2-furanylmethyl)-: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 2.99; (6)ACD/BCF (pH 7.4): 2.99; (7)ACD/KOC (pH 5.5): 76.16; (8)ACD/KOC (pH 7.4): 76.17; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.14 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 64.66 cm3; (15)Molar Volume: 185.8 cm3; (16)Polarizability: 25.63×10-24cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.357 g/cm3; (19)Flash Point: 228.7 °C; (20)Enthalpy of Vaporization: 71.41 kJ/mol; (21)Boiling Point: 454.5 °C at 760 mmHg; (22)Vapour Pressure: 1.89E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NCc1occc1)c2ccc(N)cc2
(2)InChI: InChI=1/C11H12N2O3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8,12H2
(3)InChIKey: GDZYTNDTKOAWSN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H12N2O3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8,12H2
(5)Std. InChIKey: GDZYTNDTKOAWSN-UHFFFAOYSA-N