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| CAS No.: | 85650-52-8 |
|---|---|
| Name: | Mirtazapine |
| Molecular Structure: | |
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| Formula: | C17H19N3 |
| Molecular Weight: | 265.358 |
| Synonyms: | 6-Azamianserin;Avanza;Mepirzapin;Mepirzepine;Mirtaz 15;Mirtazepine;Mirtazipine;Norset;Org 3770;Promyrtil;Remergil;Remergon;Remeron;Remeron SolTab;Rexer;Zispin;2-methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine;Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepine, 1,2,3,4,10,14b-hexahydro-2-methyl-; |
| EINECS: | 288-060-6 |
| Density: | 1.22 g/cm3 |
| Melting Point: | 114-116oC |
| Boiling Point: | 432.4 °C at 760 mmHg |
| Flash Point: | 215.3 °C |
| Solubility: | DMSO: ~8 mg/mL, soluble |
| Appearance: | white solid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | 22-24/25 |
| PSA: | 19.37000 |
| LogP: | 2.48180 |
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Specification
The Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepine,1,2,3,4,10,14b-hexahydro-2-methyl-, with the CAS registry number 85650-52-8 and EINECS registry number 288-060-6, has the systematic name of 2-methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine. It is a kind of white solid, and belongs to the product category of Serotonin receptor. And the molecular formula of the chemical is C17H19N3. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Acetamide,N-(2-benzoylphenyl)- are as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 16.3; (7)ACD/KOC (pH 5.5): 3.29; (8)ACD/KOC (pH 7.4): 167.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 19.37 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 80.68 cm3; (15)Molar Volume: 216.5 cm3; (16)Polarizability: 31.98×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 215.3 °C; (20)Enthalpy of Vaporization: 68.82 kJ/mol; (21)Boiling Point: 432.4 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1cccc3c1N4C(c2ccccc2C3)CN(C)CC4
(2)InChI: InChI=1/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
(3)InChIKey: RONZAEMNMFQXRA-UHFFFAOYAY