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CAS No.: | 70693-59-3 |
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Name: | 2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide |
Molecular Structure: | |
Formula: | C13H20N2O2S |
Molecular Weight: | 268.38 |
Synonyms: | 2-AMINO-BENZENE-SULFON-N-METHYL CYCLOHEXYLAMIDE |
EINECS: | 274-775-0 |
Density: | 1.24 g/cm3 |
Melting Point: | 98-101 °C(lit.) |
Boiling Point: | 428.1 °C at 760 mmHg |
Flash Point: | 212.7 °C |
Appearance: | light brown crystal |
PSA: | 71.78000 |
LogP: | 3.88400 |
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The Benzenesulfonamide,2-amino-N-cyclohexyl-N-methyl-, with the CAS registry number 70693-59-3, is also known as 2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide. It belongs to the product categories of Intermediates of Dyes and Pigments; Organic Building Blocks; Sulfonamides/Sulfinamides; Sulfur Compounds. Its EINECS registry number is 274-775-0. This chemical's molecular formula is C13H20N2O2S and molecular weight is 268.37. Its systematic name is called 2-amino-N-cyclohexyl-N-methylbenzenesulfonamide.
Physical properties of Benzenesulfonamide,2-amino-N-cyclohexyl-N-methyl-: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 117.75; (6)ACD/BCF (pH 7.4): 117.75; (7)ACD/KOC (pH 5.5): 1056.79; (8)ACD/KOC (pH 7.4): 1056.8; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 73.41 cm3; (14)Molar Volume: 216.3 cm3; (15)Surface Tension: 54 dyne/cm; (16)Density: 1.24 g/cm3; (17)Melting Point: 98-101 °C(lit.); (18)Flash Point: 212.7 °C; (19)Enthalpy of Vaporization: 68.32 kJ/mol; (20)Boiling Point: 428.1 °C at 760 mmHg; (21)Vapour Pressure: 1.55E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(C)C1CCCCC1)c2ccccc2N
(2)InChI: InChI=1/C13H20N2O2S/c1-15(11-7-3-2-4-8-11)18(16,17)13-10-6-5-9-12(13)14/h5-6,9-11H,2-4,7-8,14H2,1H3
(3)InChIKey: IPEHSCPRVOWQFQ-UHFFFAOYAR