Benzenemethanamine, a-methyl-4-(methylsulfonyl)- supplier

Name
ALPHA-METHYL-4-(METHYLSULFONYL)BENZYLAMINE
EINECS
CAS No. 387350-90-5
Article Data8
CAS DataBase
Density 1.182 g/cm³
Solubility
Melting Point 65-67 °C
Formula C₉H₁₃NO₂S
Boiling Point 364.1 °C at 760 mmHg
Molecular Weight 199.274
Flash Point 174 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms a-Methyl-4-(methylsulfonyl)benzenemethanamine;1-(4-Methylsulfonylphenyl)ethylamine;1-[4-(methylsulfonyl)phenyl]ethanamine;
PSA 68.54000
LogP 2.89090

Benzenemethanamine, a-methyl-4-(methylsulfonyl)- 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

Product Name

ALPHA-METHYL-4-(METHYLSULFONYL)BENZYLAMINE

Benzenemethanamine, a-methyl-4-(methylsulfonyl)- Specification

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