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| CAS No.: | 38957-41-4 |
|---|---|
| Name: | Emorfazone |
| Molecular Structure: | |
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| Formula: | C11H17N3O3 |
| Molecular Weight: | 239.274 |
| Synonyms: | 4-ethoxy-2-methyl-5-morpholin-4-yl-2H-pyridazin-3-one;EINECS 254-220-9;Emorfazone [INN-French];Nandron;emorfazone(jan);Emorfazona [INN-Spanish];emorfazone;Emorfazonum [INN-Latin]; |
| Density: | 1.27g/cm3 |
| Melting Point: | 89-91° |
| Boiling Point: | 366.5°C at 760 mmHg |
| Flash Point: | 175.4°C |
| Safety: | Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. Experimental teratogenic and reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 56.59000 |
| LogP: | 0.08060 |
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Chemistry
Molecule structure of Emorfazone(CAS NO.38957-41-4) :
IUPAC Name: 4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
Molecular Weight: 239.27098 g/mol
Molecular Formula: C11H17N3O3
Density: 1.27 g/cm3
Melting Point: 90 deg C
Boiling Point: 366.5 °C at 760 mmHg
Flash Point: 175.4 °C
Index of Refraction: 1.579
Molar Refractivity: 62.36 cm3
Molar Volume: 187.5 cm3
Polarizability: 24.72*10-24 cm3
Surface Tension: 45.2 dyne/cm
Enthalpy of Vaporization: 61.29 kJ/mol
Vapour Pressure: 1.46E-05 mmHg at 25 °C
log P (octanol-water): -1.790
Atmospheric OH Rate Constant: 1.95E-10 cm3/molecule-sec
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Exact Mass: 239.126991
MonoIsotopic Mass: 239.126991
Topological Polar Surface Area: 54.4
Heavy Atom Count: 17
Complexity: 359
Canonical SMILES: CCOC1=C(C=NN(C1=O)C)N2CCOCC2
InChI: InChI=1S/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3
InChIKey: URJQOOISAKEBKW-UHFFFAOYSA-N
EINECS of Emorfazone(CAS NO.38957-41-4) : 254-220-9
Toxicity Data With Reference
| 1. | dlt-mus-orl 500 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 11 (1980),559. | ||
| 2. | orl-rat LD50:1900 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 14 (1983),838. | ||
| 3. | ipr-rat LD50:600 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 14 (1983),838. | ||
| 4. | scu-rat TDLo:720 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 16 (1978),1011. | ||
| 5. | ivn-rat LD50:340 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 14 (1983),838. | ||
| 6. | orl-mus LD50:960 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 14 (1983),838. | ||
| 7. | ipr-mus LD50:620 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 16 (1978),1011. | ||
| 8. | scu-mus LD50:750 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 14 (1983),838. |
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. Experimental teratogenic and reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Specification
Emorfazone(CAS NO.38957-41-4) is also called 4-Ethoxy-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone ; 4-Ethoxy-2-methyl-5-morpholino-3(2H)-pyridazinone ; BRN 0995465 ; Emorfazona [INN-Spanish] ; Emorfazone [INN-French] ; Emorfazonum [INN-Latin] ; M 73101 ; Nandron ; UNII-V93U9DH62C .