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3989-43-3

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Basic Information
CAS No.: 3989-43-3
Name: N,N-DIPHENYL-METHANESULFONAMIDE
Article Data: 5
Molecular Structure:
Molecular Structure of 3989-43-3 (N,N-DIPHENYL-METHANESULFONAMIDE)
Formula: C13H13NO2S
Molecular Weight: 247.318
Synonyms: 4-(Methylsulfonyl)diphenylamine;N,N-Diphenylmethanesulfonamide;NSC 116559;
Density: 1.267 g/cm3
Melting Point: 116.5-117.0 °C(Solv: methanol (67-56-1))
Boiling Point: 380.4 °C at 760 mmHg
Flash Point: 183.8 °C
PSA: 45.76000
LogP: 3.86510
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Specification

The CAS register number of Methanesulfonamide,N,N-diphenyl- is 3989-43-3. It also can be called as 4-(Methylsulfonyl)diphenylamine and the systematic name about this chemical is N,N-diphenylmethanesulfonamide. The molecular formula about this chemical is C13H13NO2S and the molecular weight is 247.31282.

Physical properties about Methanesulfonamide,N,N-diphenyl- are: (1)ACD/LogP: 2.52; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 45.76 Å2; (5)Index of Refraction: 1.623; (6)Molar Refractivity: 68.79 cm3; (7)Molar Volume: 195 cm3; (8)Polarizability: 27.27x10-24cm3; (9)Surface Tension: 53.2 dyne/cm; (10)Flash Point: 183.8 °C; (11)Enthalpy of Vaporization: 62.85 kJ/mol; (12)Boiling Point: 380.4 °C at 760 mmHg; (13)Vapour Pressure: 5.47E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(c1ccccc1)c2ccccc2)C
(2)InChI: InChI=1/C13H13NO2S/c1-17(15,16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
(3)InChIKey: RMNOKXFIWFIIJU-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H13NO2S/c1-17(15,16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
(5)Std. InChIKey: RMNOKXFIWFIIJU-UHFFFAOYSA-N