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| CAS No.: | 39718-89-3 |
|---|---|
| Name: | Alminoprofen |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C13H17NO2 |
| Molecular Weight: | 219.283 |
| Synonyms: | (+/-)-2-{p-[(2-methylallyl)amino]phenyl}propionic acid;3,3',4,4'-Tetraethyl-2,2'-dipyrrolylmethane;2-(p-methallylaminophenyl)-propionic acid;2,2'-methylenebis(3,4-diethylpyrrole);1H-Pyrrole,2,2'-methylenebis[3,4-diethyl;tetraethyldipyrromethane;rac Alminoprofen; |
| Density: | 1.107g/cm3 |
| Melting Point: | 107° |
| Boiling Point: | 373.1°Cat760mmHg |
| Flash Point: | 179.4°C |
| Safety: | Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 49.33000 |
| LogP: | 2.93570 |
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Chemistry
Molecular Structure of Alminoprofen (CAS NO.39718-89-3):
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EINECS: 254-604-6
IUPAC Name: 2-[4-(2-Methylprop-2-enylamino)phenyl]propanoic acid
Molecular Formula: C13H17NO2
Molecular Weight: 219.279580 g/mol
XLogP3-AA: 3.2
H-Bond Donor: 2
H-Bond Acceptor: 3
Canonical SMILES: CC(C1=CC=C(C=C1)NCC(=C)C)C(=O)O
InChI: InChI=1S/C13H17NO2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13(15)16/h4-7,10,14H,1,8H2,2-3H3,(H,15,16)
InChIKey: FPHLBGOJWPEVME-UHFFFAOYSA-N
Index of Refraction: 1.571
Molar Refractivity: 65.07 cm3
Molar Volume: 198 cm3
Surface Tension: 43.1 dyne/cm
Density: 1.107 g/cm3
Flash Point: 179.4 °C
Enthalpy of Vaporization: 65.44 kJ/mol
Boiling Point: 373.1 °C at 760 mmHg
Vapour Pressure: 3.15E-06 mmHg at 25 °C
Water Solubility: 305.6 mg/L at 25 °C
BRN of Alminoprofen (CAS NO.39718-89-3): 2373633
Toxicity Data With Reference
| 1. | orl-rat LD50:550 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs, 6th Edition 1982 Edited by Japan Pharmaceutical Information Center.(Yakugyo Jiho Co., Ltd.,Tokyo, Japan.: )1990,79. | ||
| 2. | ipr-rat LD50:700 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs, 6th Edition 1982 Edited by Japan Pharmaceutical Information Center.(Yakugyo Jiho Co., Ltd.,Tokyo, Japan.: )1990,79. | ||
| 3. | scu-rat LD50:660 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs, 6th Edition 1982 Edited by Japan Pharmaceutical Information Center.(Yakugyo Jiho Co., Ltd.,Tokyo, Japan.: )1990,79. | ||
| 4. | orl-mus LD50:2400 mg/kg | EJMCA5 European Journal of Medicinal Chemistry. Chimie Therapeutique. 14 (1979),207. | ||
| 5. | ipr-mus LD50:705 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs, 6th Edition 1982 Edited by Japan Pharmaceutical Information Center.(Yakugyo Jiho Co., Ltd.,Tokyo, Japan.: )1990,79. | ||
| 6. | scu-mus LD50:980 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs, 6th Edition 1982 Edited by Japan Pharmaceutical Information Center.(Yakugyo Jiho Co., Ltd.,Tokyo, Japan.: )1990,79. |
Safety Profile
Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx.
Specification
Alminoprofen with CAS Registry Number of 39718-89-3 is white waxy crystals. It is also known as Alminoprofen [INN:JAN] ; 2-(4-((2-Methylallyl)amino)phenyl)propansaeure ; 2-(4-(Methallylamino)phenyl)propionic acid ; 4-((2-Methylallyl)amino)hydratropasaeure ; Acide (methallylamino-4 phenyl)-2 propionique ; Acide (methallylamino-4 phenyl)-2 propionique [French] ; Alminoprofene ; Alminoprofene [INN-French] ; Alminoprofeno ; Alminoprofeno [INN-Spanish] ; Alminoprofeno [Spanish] ; Alminoprofenum ; Alminoprofenum [INN-Latin] ; Benzeneacetic acid, alpha-methyl-4-((2-methyl-2-propenyl)amino)- ; EB 382 ; EB-382 ; Minalfene ; UNII-0255AHR9GJ ; alpha-Methyl-4-((2-methyl-2-propenyl)amino)benzeneacetic acid ; p-((2-Methylallyl)amino)hydratropic acid ; Propionic acid, 2-(4-(methallylamino)phenyl)- . It is a non-steroidal anti-inflammatory drug better than Ibuprofen .
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