Specification: |
The CAS register number of 6-Hydroxy-1-aminoindan is 168902-76-9. It also can be called as 1H-Inden-5-ol,3-amino-2,3-dihydro- and the systematic name about this chemical is 3-amino-2,3-dihydro-1H-inden-5-ol. The molecular formula about this chemical is C9H11NO and the molecular weight is 149.19. It belongs to the Indane/Indanone and Derivatives.
Physical properties about 6-Hydroxy-1-aminoindan are: (1)ACD/LogP: 0.87; (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): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.25Å2; (10)Index of Refraction: 1.622; (11)Molar Refractivity: 43.86 cm3; (12)Molar Volume: 124.5 cm3; (13)Polarizability: 17.38x10-24cm3; (14)Surface Tension: 54.5 dyne/cm; (15)Enthalpy of Vaporization: 55.32 kJ/mol; (16)Boiling Point: 292.3 °C at 760 mmHg; (17)Vapour Pressure: 0.00105 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc2CCC(N)c2c1
(2)InChI: InChI=1/C9H11NO/c10-9-4-2-6-1-3-7(11)5-8(6)9/h1,3,5,9,11H,2,4,10H2
(3)InChIKey: MOUPGBDOLGDVNW-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H11NO/c10-9-4-2-6-1-3-7(11)5-8(6)9/h1,3,5,9,11H,2,4,10H2
(5)Std. InChIKey: MOUPGBDOLGDVNW-UHFFFAOYSA-N
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