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| CAS No.: | 486459-03-4 |
|---|---|
| Name: | 1-(4-Bromophenyl)-2-(methylamino)-1-propanone |
| Molecular Structure: | |
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| Formula: | C10H12BrNO |
| Molecular Weight: | 242.00 |
| Synonyms: | 1-Propanone, 1-(4-bromophenyl)-2-(methylamino)-; |
| Density: | 1.35 g/cm3 |
| Boiling Point: | 321.891 °C at 760 mmHg |
| Flash Point: | 148.474 °C |
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Specification
1-(4-Bromophenyl)-2-(methylamino)-1-propanone is an organic compound with the formula C10H12BrNO, and its systematic name is the same with the product name. With the CAS registry number 486459-03-4, it is also named as 1-Propanone, 1-(4-bromophenyl)-2-(methylamino)-. In addition, the molecular weight is 242.00.
Physical properties of 1-(4-Bromophenyl)-2-(methylamino)-1-propanone are: (1)ACD/LogP: 1.109; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.51; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 2.69; (7)ACD/KOC (pH 5.5): 2.31; (8)ACD/KOC (pH 7.4): 62.69; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 56.79 cm3; (15)Molar Volume: 179.355 cm3; (16)Polarizability: 22.513×10-24cm3; (17)Surface Tension: 38.88 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 148.474 °C; (20)Enthalpy of Vaporization: 56.369 kJ/mol; (21)Boiling Point: 321.891 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)C(NC)C
(2)Std. InChI: InChI=1S/C10H12BrNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3
(3)Std. InChIKey: OOJXMFNDUXHDOV-UHFFFAOYSA-N