Specification: |
The (S)-2-Amino-7-hydroxytetralin with cas registry number of 85951-60-6, has the systematic name of 7-amino-5,6,7,8-tetrahydronaphthalen-2-ol. And it is also named 2-naphthalenol, 7-amino-5,6,7,8-tetrahydro-.
Physical properties about this chemical are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (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; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 48.473 cm3; (15)Molar Volume: 142.264 cm3; (16)Polarizability: 19.216×10-24cm3; (17)Surface Tension: 50.055 dyne/cm; (18)Enthalpy of Vaporization: 58.975 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc2CCC(N)Cc2c1;
(2)InChI: InChI=1/C10H13NO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h2,4,6,9,12H,1,3,5,11H2;
(3)InChIKey: VIYAPIMIOKKYNF-UHFFFAOYAZ;
(4)Std. InChI: InChI=1S/C10H13NO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h2,4,6,9,12H,1,3,5,11H2;
(5)Std. InChIKey: VIYAPIMIOKKYNF-UHFFFAOYSA-N
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