Basic Information | Post buying leads | Suppliers |
Name |
8-Hydroxyamoxapine |
EINECS | N/A |
CAS No. | 61443-78-5 | Density | 1.46 g/cm3 |
PSA | 57.09000 | LogP | 3.63910 |
Solubility | N/A | Melting Point |
242-247°C |
Formula | C17H16ClN3O2 | Boiling Point | 540 °C at 760 mmHg |
Molecular Weight | 329.7808 | Flash Point | 280.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
8-Hydroxyamoxapin;8-Chloro-6-piperazin-1-ylbenzo[b][1, 4]benzoxazepin-3-ol; |
The 8-Hydroxyamoxapine, with the CAS registry number 61443-78-5, is also known as Dibenz(b,f)(1, 4)oxazepin-8-ol, 2-chloro-11-(1-piperazinyl)-. This chemical's molecular formula is C17H16ClN3O2 and molecular weight is 329.7808. What's more, its IUPAC name is 8-Chloro-6-piperazin-1-ylbenzo[b][1, 4]benzoxazepin-3-ol.
Physical properties about 8-Hydroxyamoxapine are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.12; (7)ACD/KOC (pH 7.4): 40.85; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.704; (13)Molar Refractivity: 87.6 cm3; (14)Molar Volume: 225.5 cm3; (15)Polarizability: 34.72×10-24 cm3; (16)Surface Tension: 56.7 dyne/cm; (17)Density: 1.46 g/cm3; (18)Flash Point: 280.4 °C; (19)Enthalpy of Vaporization: 84.82 kJ/mol; (20)Boiling Point: 540 °C at 760 mmHg; (21)Vapour Pressure: 2.82E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc1Oc4c(/N=C(\c1c2)N3CCNCC3)cc(O)cc4
(2) InChI: InChI=1/C17H16ClN3O2/c18-11-1-3-15-13(9-11)17(21-7-5-19-6-8-21)20-14-10-12(22)2-4-16(14)23-15/h1-4,9-10,19,22H,5-8H2
(3) InChIKey: QDWNOKXUZTYVGO-UHFFFAOYAP