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112244-38-9

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Basic Information
CAS No.: 112244-38-9
Name: 5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
Article Data: 2
Molecular Structure:
Molecular Structure of 112244-38-9 (5-(2-Aminopropyl)-2-methoxybenzenesulfonamide)
Formula: C10H16N2O3S
Molecular Weight: 244.315
Synonyms: Benzenesulfonamide,5-(2-aminopropyl)-2-methoxy-, (?à)-;5-(2-Aminopropyl)-2-methoxybenzenesulfonamide;5-[2-Aminopropyl]-2-methoxy benzene sulfonamide;
Density: 1.248 g/cm3
Melting Point: 166-168 °C
Boiling Point: 445.507 °C at 760 mmHg
Flash Point: 223.235 °C
PSA: 103.79000
LogP: 2.71370
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Specification

The 5-(2-Aminopropyl)-2-methoxybenzenesulfonamide, with the CAS registry number 112244-38-9, is also known as Benzenesulfonamide, 5-(2-aminopropyl)-2-methoxy-. It belongs to the product category of API intermediates. This chemical's molecular formula is C10H16N2O3S and molecular weight is 244.31. Its systematic name is called 5-(2-aminopropyl)-2-methoxybenzenesulfonamide.

Physical properties of 5-(2-Aminopropyl)-2-methoxybenzenesulfonamide: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.557; (11)Molar Refractivity: 63.043 cm3; (12)Molar Volume: 195.762 cm3; (13)Surface Tension: 48.927 dyne/cm; (14)Density: 1.248 g/cm3; (15)Flash Point: 223.235 °C; (16)Enthalpy of Vaporization: 70.351 kJ/mol; (17)Boiling Point: 445.507 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1S(N)(=O)=O)CC(C)N
(2)InChI: InChI=1/C10H16N2O3S/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14)
(3)InChIKey: IORITYIZDHJCGT-UHFFFAOYAU