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Basic Information
CAS No.: 808761-43-5
Name: 3-(Aminomethyl)-N-methylbenzenesulfonamide
Article Data: 1
Molecular Structure:
Molecular Structure of 808761-43-5 (3-(Aminomethyl)-N-methylbenzenesulfonamide)
Formula: C8H12N2O2S
Molecular Weight: 200.261
Synonyms: Benzenesulfonamide, 3-(aminomethyl)-N-methyl-;
Density: 1.251 g/cm3
Boiling Point: 365.2 °C at 760 mmHg
Flash Point: 174.6 °C
PSA: 80.57000
LogP: 2.22540
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Specification

The 3-(Aminomethyl)-N-methylbenzenesulfonamide, with the CAS registry number 808761-43-5, is also known as Benzenesulfonamide, 3-(aminomethyl)-N-methyl-. This chemical's molecular formula is C8H12N2O2S and molecular weight is 200.261. What's more, its systematic name is 3-(Aminomethyl)-N-methylbenzenesulfonamide.

Physical properties about 3-(Aminomethyl)-N-methylbenzenesulfonamide are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 80.57 Å2; (10)Index of Refraction: 1.564; (11)Molar Refractivity: 52.09 cm3; (12)Molar Volume: 160 cm3; (13)Polarizability: 20.65×10-24 cm3; (14)Surface Tension: 47.2 dyne/cm; (15)Density: 1.251 g/cm3; (16)Flash Point: 174.6 °C; (17)Enthalpy of Vaporization: 61.14 kJ/mol; (18)Boiling Point: 365.2 °C at 760 mmHg; (19)Vapour Pressure: 1.6E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NCc1cccc(c1)S(=O)(=O)NC
(2) InChI: InChI=1/C8H12N2O2S/c1-10-13(11,12)8-4-2-3-7(5-8)6-9/h2-5,10H,6,9H2,1H3
(3) InChIKey: FMVLDCBNRZZNPH-UHFFFAOYAT