CAS No.61443-78-5,8-HYDROXY AMOXAPINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61443-78-5
Name:	8-HYDROXY AMOXAPINE

Formula:	C₁₇H₁₆ClN₃O₂
Molecular Weight:	329.7808
Synonyms:	8-Hydroxyamoxapin;8-Chloro-6-piperazin-1-ylbenzo[b][1, 4]benzoxazepin-3-ol;
Density:	1.46 g/cm³
Melting Point:	242-247°C
Boiling Point:	540 °C at 760 mmHg
Flash Point:	280.4 °C
PSA:	57.09000
LogP:	3.63910

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Specification

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