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750571-31-4

Basic Information
CAS No.: 750571-31-4
Name: (R)-8-fluorochroman-4-amine
Article Data: 4
Molecular Structure:
Molecular Structure of 750571-31-4 ((R)-8-fluorochroman-4-amine)
Formula: C9H10FNO
Molecular Weight: 167.182
Synonyms: (R)-8-Fluorochroman-4-amine;
Density: 1.202 g/cm3
Boiling Point: 228.212 °C at 760 mmHg
Flash Point: 91.82 °C
PSA: 35.25000
LogP: 2.30830
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Specification

The (4R)-8-Fluorochromane-4-ylamine, with the CAS registry number of 750571-31-4, is also known as (R)-8-Fluorochroman-4-amine. This chemical's molecular formula is C9H10FNO and molecular weight is 167.182. What's more, its systematic name is (4R)-8-fluorochroman-4-amine.

Physical properties about (4R)-8-Fluorochromane-4-ylamine are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.471; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 14.715; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.25 Å2; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 43.579 cm3; (14)Molar Volume: 139.087 cm3; (15)Polarizability: 17.276×10-24 cm3; (16)Surface Tension: 42.481 dyne/cm; (17)Density: 1.202 g/cm3; (18)Flash Point: 91.82 °C; (19)Enthalpy of Vaporization: 46.48 kJ/mol; (20)Boiling Point: 228.212 °C at 760 mmHg; (21)Vapour Pressure: 0.074 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(c(c1)F)OCC[C@H]2N
(2) InChI: InChI=1/C9H10FNO/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5,11H2/t8-/m1/s1
(3) InChIKey: HXACNHXAKSMYNU-MRVPVSSYBW