InChI: | InChI=1/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3/t10-/m1/s1 |
Specification: |
The (R)-2-Amino-7-methoxytetralin, with the CAS registry number 121216-43-1, is also known as (R)-2-Amino-7-methoxy-1,2,3,4-tetrahydronaphthalene. This chemical's molecular formula is C11H15NO and molecular weight is 177.24. Its systematic name is called (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
Physical properties of (R)-2-Amino-7-methoxytetralin: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.547; (11)Molar Refractivity: 53.27 cm3; (12)Molar Volume: 167.8 cm3; (13)Surface Tension: 39.2 dyne/cm; (14)Density: 1.056 g/cm3; (15)Flash Point: 139.7 °C; (16)Enthalpy of Vaporization: 53.96 kJ/mol; (17)Boiling Point: 299.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00118 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2CC[C@@H](N)Cc2c1
(2)InChI: InChI=1/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3/t10-/m1/s1
(3)InChIKey: ZNWNWWLWFCCREO-SNVBAGLB
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