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130073-98-2

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Basic Information
CAS No.: 130073-98-2
Name: 9-amino-1,2,3,4-tetrahydroacridin-2-ol
Article Data: 4
Molecular Structure:
Molecular Structure of 130073-98-2 (9-amino-1,2,3,4-tetrahydroacridin-2-ol)
Formula: C13H14N2O
Molecular Weight: 214.267
Synonyms: 2-Hydroxytacrine;9-Amino-1,2,3,4-tetrahydroacridin-2-ol;
Density: 1.315g/cm3
Boiling Point: 470.2 °C at 760 mmHg
Flash Point: 238.1 °C
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Specification

The 2-Acridinol,9-amino-1,2,3,4-tetrahydro-, with CAS registry number 130073-98-2, has the systematic name of 9-amino-1,2,3,4-tetrahydroacridin-2-ol. Its molecular weight is 214.2631. And the chemical formula of this chemical is C13H14N2O.

Physical properties of 2-Acridinol,9-amino-1,2,3,4-tetrahydro-: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (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): 4.51; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 25.36 Å2; (12)Index of Refraction: 1.726; (13)Molar Refractivity: 64.79 cm3; (14)Molar Volume: 162.8 cm3; (15)Polarizability: 25.68×10-24cm3; (16)Surface Tension: 65.9 dyne/cm; (17)Density: 1.315 g/cm3; (18)Flash Point: 238.1 °C; (19)Enthalpy of Vaporization: 77.19 kJ/mol; (20)Boiling Point: 470.2 °C at 760 mmHg; (21)Vapour Pressure: 1.21E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC2Cc1c(c3c(nc1CC2)cccc3)N
(2)InChI: InChI=1/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16)7-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)
(3)InChIKey: PYCYYSWVRAEADT-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H14N2O/c14-13-9-3-1-2-4-11(9)15-12-6-5-8(16)7-10(12)13/h1-4,8,16H,5-7H2,(H2,14,15)
(5)Std. InChIKey: PYCYYSWVRAEADT-UHFFFAOYSA-N