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387350-90-5

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Basic Information
CAS No.: 387350-90-5
Name: ALPHA-METHYL-4-(METHYLSULFONYL)BENZYLAMINE
Article Data: 8
Molecular Structure:
Molecular Structure of 387350-90-5 (ALPHA-METHYL-4-(METHYLSULFONYL)BENZYLAMINE)
Formula: C9H13NO2S
Molecular Weight: 199.274
Synonyms: a-Methyl-4-(methylsulfonyl)benzenemethanamine;1-(4-Methylsulfonylphenyl)ethylamine;1-[4-(methylsulfonyl)phenyl]ethanamine;
Density: 1.182 g/cm3
Melting Point: 65-67 °C
Boiling Point: 364.1 °C at 760 mmHg
Flash Point: 174 °C
PSA: 68.54000
LogP: 2.89090
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Specification

The CAS register number of Benzenemethanamine, a-methyl-4-(methylsulfonyl)- is 387350-90-5. It also can be called as a-Methyl-4-(methylsulfonyl)benzenemethanamine and the IUPAC name about this chemical is 1-(4-methylsulfonylphenyl)ethanamine. The molecular formula about this chemical is C9H13NO2S and the molecular weight is 199.27.

Physical properties about Benzenemethanamine, a-methyl-4-(methylsulfonyl)- are: (1)ACD/LogP: -0.28; (2)ACD/LogD (pH 5.5): -3.15; (3)ACD/LogD (pH 7.4): -1.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 45.76 Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 53.05 cm3; (14)Molar Volume: 168.4 cm3; (15)Polarizability: 21.03x10-24cm3; (16)Surface Tension: 42.2 dyne/cm; (17)Density: 1.182 g/cm3; (18)Flash Point: 174 °C; (19)Enthalpy of Vaporization: 61.03 kJ/mol; (20)Boiling Point: 364.1 °C at 760 mmHg; (21)Vapour Pressure: 1.72E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C(N)C)C
(2)InChI: InChI=1/C9H13NO2S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7H,10H2,1-2H3
(3)InChIKey: XJAMLZUKCSRXAF-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H13NO2S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7H,10H2,1-2H3
(5)Std. InChIKey: XJAMLZUKCSRXAF-UHFFFAOYSA-N