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| CAS No.: | 54810-23-0 |
|---|---|
| Name: | Loxapine hydrochloride |
| Molecular Structure: | |
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| Formula: | C18H18 Cl N3 O . Cl H |
| Molecular Weight: | 364.27 |
| Synonyms: | Dibenz[b,f][1,4]oxazepine,2-chloro-11-(4-methyl-1-piperazinyl)-, monohydrochloride (9CI);Loxapinehydrochloride; |
| Melting Point: | 109-110oC |
| Boiling Point: | 458.6°C at 760 mmHg |
| Flash Point: | 231.1°C |
| PSA: | 28.07000 |
| LogP: | 3.88480 |
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Specification
The Loxapine hydrochloride, with the CAS registry number 54810-23-0, is also known as Dibenz(b,f)(1,4)oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-, monohydrochloride.It belongs to the product organic matters.This chemical's molecular formula is C18H19Cl2N3O and molecular weight is 364.26. What's more, Its systematic name is 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]oxazepine hydrochloride (1:1).
Physical properties about Loxapine hydrochloride are: (1)ACD/LogP: 2.737; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 1.71; (6)ACD/BCF (pH 7.4): 46.67; (7)ACD/KOC (pH 5.5): 17.77; (8)ACD/KOC (pH 7.4): 483.97; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Flash Point: 231.1 °C; (13)Enthalpy of Vaporization: 71.89 kJ/mol ; (14)Boiling Point: 458.6 °C at 760 mmHg; (15)Vapour Pressure: 1.36E-08 mmHg at 25°C;
You can still convert the following datas into molecular structure:
(1)SMILES:Cl.Clc2ccc1Oc4c(/N=C(\c1c2)N3CCN(C)CC3)cccc4;
(2)Std. InChI:InChI=1S/C18H18ClN3O.ClH/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;/h2-7,12H,8-11H2,1H3;1H;
(3)Std. InChIKey:JSXBVMKACNEMKY-UHFFFAOYSA-N;