Basic information
- Name:
Benzenemethanamine,2-fluoro-a-methyl-, (aR)-
- Superlist Name:
- (R)-1-(2-Fluorophenyl)ethylamine
- CAS No.:
185545-90-8
- Molecular Structure:
- Formula:
- C8H10FN
- Molecular Weight:
- 139.17
- Synonyms:
- Benzenemethanamine,2-fluoro-a-methyl-, (R)-;(1R)-1-(2-Fluorophenyl)ethanamine;
- Density:
- 1.063 g/cm3
- Boiling Point:
- 179.77 °C at 760 mmHg
- Flash Point:
- 70.242 °C
- Hazard Symbols:
Xi
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Specification
The (R)-1-(2-Fluorophenyl)ethylamine, with the CAS registry number 185545-90-8, is also known as Benzenemethanamine, 2-fluoro-α-methyl-, (alphaR)-. It belongs to the product category of Halide. This chemical's molecular formula is C8H10FN and molecular weight is 139.17. Its IUPAC name and systematic name are the same which is called (1R)-1-(2-fluorophenyl)ethanamine.
Physical properties about this chemical are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -0.41; (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): 1.95; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.512; (13)Molar Refractivity: 39.33 cm3; (14)Molar Volume: 130.8 cm3; (15)Surface Tension: 35.1 dyne/cm; (16)Density: 1.063 g/cm3; (17)Flash Point: 70.2 °C; (18)Enthalpy of Vaporization: 41.6 kJ/mol; (19)Boiling Point: 179.8 °C at 760 mmHg; (20)Vapour Pressure: 0.926 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C1=CC=CC=C1F)N
(2)Isomeric SMILES: C[C@H](C1=CC=CC=C1F)N
(3)InChI: InChI=1S/C8H10FN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m1/s1
(4)InChIKey: DIWHJJUFVGEXGS-ZCFIWIBFSA-N
