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| CAS No.: | 220362-31-2 |
|---|---|
| Name: | Benzeneethanamine, 3,4-difluoro- (9CI) |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H9F2N |
| Molecular Weight: | 157.163 |
| Synonyms: | 2-(3,4-Difluorophenyl)ethylamine; |
| Density: | 1.17 g/cm3 |
| Boiling Point: | 202.664 °C at 760 mmHg |
| Flash Point: | 91.121 °C |
| PSA: | 26.02000 |
| LogP: | 2.16630 |
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Specification
The 2-(3,4-Difluorophenyl)ethanamine, with the CAS registry number 220362-31-2, is also known as 2-(3,4-Difluorophenyl)ethylamine. It belongs to the product category of Halide. This chemical's molecular formula is C8H9F2N and molecular weight is 157.16. What's more, its systematic name is 2-(3,4-Difluorophenyl)ethanamine.
Physical properties of 2-(3,4-Difluorophenyl)ethanamine are: (1)ACD/LogP: 1.541; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.41; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 39.325 cm3; (15)Molar Volume: 134.348 cm3; (16)Polarizability: 15.59×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 91.121 °C; (20)Enthalpy of Vaporization: 43.888 kJ/mol; (21)Boiling Point: 202.664 °C at 760 mmHg; (22)Vapour Pressure: 0.3 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)CCN
(2)Std. InChI: InChI=1S/C8H9F2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
(3)Std. InChIKey: DMXDNYQJKIUMMR-UHFFFAOYSA-N