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CAS No.: | 1018978-85-2 |
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Name: | (S)-6-FLUORO-CHROMAN-4-YLAMINE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H10FNO |
Molecular Weight: | 167.180203 |
Synonyms: | 6-fluoro-3,4-dihydro-2H-chromen-4-ylamine; |
Density: | 1.202 g/cm3 |
Boiling Point: | 229.76 °C at 760 mmHg |
Flash Point: | 92.756 °C |
PSA: | 35.25000 |
LogP: | 2.30830 |
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The 6-Fluorochroman-4-amine, with the CAS registry number 1018978-85-2, is also known as 2H-1-Benzopyran-4-amine, 6-fluoro-3,4-dihydro-. This chemical's molecular formula is C9H10FNO and molecular weight is 167.180203. Its IUPAC name is called 6-fluoro-3,4-dihydro-2H-chromen-4-amine.
Physical properties of 6-Fluorochroman-4-amine: (1)ACD/LogP: 1.47; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2.97; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.539; (10)Molar Refractivity: 43.579 cm3; (11)Molar Volume: 139.087 cm3; (12)Surface Tension: 42.481 dyne/cm; (13)Density: 1.202 g/cm3; (14)Flash Point: 92.756 °C; (15)Enthalpy of Vaporization: 46.638 kJ/mol; (16)Boiling Point: 229.76 °C at 760 mmHg; (17)Vapour Pressure: 0.068 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC2=C(C1N)C=C(C=C2)F
(2)InChI: InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2
(3)InChIKey: WVQYSVLMDHXHOV-UHFFFAOYSA-N