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CAS No.: | 859850-67-2 |
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Name: | N-[4-(2-FURYL)BENZYL]-N-METHYLAMINE |
Molecular Structure: | |
Formula: | C12H13NO |
Molecular Weight: | 187.24 |
Synonyms: | N-Methyl-4-(2-furyl)benzylamine; |
Density: | 1.045 g/cm3 |
Boiling Point: | 282.7 °C at 760 mmHg |
Flash Point: | 124.8 °C |
PSA: | 25.17000 |
LogP: | 3.05690 |
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The Benzenemethanamine,4-(2-furanyl)-N-methyl-, with CAS registry number 859850-67-2, has the systematic name of 1-(4-furan-2-ylphenyl)-N-methylmethanamine. Besides this, it is also called N-[4-(2-Furyl)benzyl]-n-methylamine. And the chemical formula of this chemical is C12H13NO.
Physical properties of Benzenemethanamine,4-(2-furanyl)-N-methyl-: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.96; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 16.38 Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 56.28 cm3; (15)Molar Volume: 179.1 cm3; (16)Polarizability: 22.31×10-24cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.045 g/cm3; (19)Flash Point: 124.8 °C; (20)Enthalpy of Vaporization: 52.16 kJ/mol; (21)Boiling Point: 282.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00331 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: o2c(c1ccc(cc1)CNC)ccc2
(2)InChI: InChI=1/C12H13NO/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3
(3)InChIKey: QJHXIMBULPYCDO-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H13NO/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3
(5)Std. InChIKey: QJHXIMBULPYCDO-UHFFFAOYSA-N