1-Acridinol,9-amino-1,2,3,4-tetrahydro- supplier

Name
Velnacrine
EINECS
CAS No. 104675-29-8
Article Data9
CAS DataBase
Density 1.315 g/cm³
Solubility
Melting Point 245°
Formula C₁₃H₁₄N₂O
Boiling Point 450.3 °C at 760 mmHg
Molecular Weight 214.267
Flash Point 226.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Velnacrine;9-amino-1,2,3,4-tetrahydroacridin-1-ol;(±)-9-Amino-1,2,3,4-tetrahydro-1-acridinol;1-acridinol, 9-amino-1,2,3,4-tetrahydro-;9-Amino-1,2,3,4-tetrahydroacridin-1-ol;
PSA 59.87000
LogP 2.11680

1-Acridinol,9-amino-1,2,3,4-tetrahydro- Specification

The 1-Acridinol,9-amino-1,2,3,4-tetrahydro-, with the CAS registry number 104675-29-8, has the systematic name and IUPAC name of 9-amino-1,2,3,4-tetrahydroacridin-1-ol. And the molecular formula of this chemical is C₁₃H₁₄N₂O. It is a kind of potential plzheimer's disease drug but trial halted due to abnormal liver tests.

The physical properties of 1,2,3,4-Tetrahydroisoquinoline carboxylic acid are as following: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -0.03; (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): 4.8; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.36 Å²; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 64.79 cm³; (15)Molar Volume: 162.8 cm³; (16)Polarizability: 25.68×10^-24cm³; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.315 g/cm³; (19)Flash Point: 226.1 °C; (20)Enthalpy of Vaporization: 74.73 kJ/mol; (21)Boiling Point: 450.3 °C at 760 mmHg; (22)Vapour Pressure: 6.77E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC2c1c(c3c(nc1CCC2)cccc3)N
(2)InChI: InChI=1/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)
(3)InChIKey: HLVVITIHAZBPKB-UHFFFAOYAV

Product Name

Velnacrine

1-Acridinol,9-amino-1,2,3,4-tetrahydro- Specification

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