Specification: |
The 8-Amino-1,2,3,4-tetrahydro-2-naphthol with the CAS number 624729-66-4 is also called 2-Naphthalenol,8-amino-1,2,3,4-tetrahydro-. Both the systematic name and IUPAC name are 8-amino-1,2,3,4-tetrahydronaphthalen-2-ol. Its molecular formula is C10H13NO. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.57; (6)ACD/BCF (pH 7.4): 2.77; (7)ACD/KOC (pH 5.5): 66.94; (8)ACD/KOC (pH 7.4): 72.23; (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: 1.64; (14)Molar Refractivity: 48.86 cm3; (15)Molar Volume: 135.5 cm3; (16)Polarizability: 19.37×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Enthalpy of Vaporization: 62.41 kJ/mol; (19)Vapour Pressure: 2.07×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc2cccc1CCC(O)Cc12
(2)InChI: InChI=1/C10H13NO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3,8,12H,4-6,11H2
(3)InChIKey: SSTODPPMEPQZQJ-UHFFFAOYAO
|