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Cas Database |
| Name |
Methyl phenidyl acetate |
EINECS | N/A |
| CAS No. | 113-45-1 | Density | 1.07g/cm3 |
| PSA | 38.33000 | LogP | 2.41410 |
| Solubility | N/A | Melting Point |
74.5°C |
| Formula | C14H19 N O2 | Boiling Point | 327.6°Cat760mmHg |
| Molecular Weight | 233.31 | Flash Point | 152°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison experimentally by ingestion, intraperitoneal, intravenous, and subcutaneous routes. Moderately toxic to humans by intravenous route. Human systemic effects by intravenous route: dyspnea. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4311/bCiba; Calocain; Equasym; Meridil; Methyl phenidyl acetate; Methyl a-phenyl-a-2-piperidinylacetate; Methyl a-phenyl-a-2-piperidylacetate;Methylphenidan; Methylphenidate; Phenidylate; Rubifen; a-Phenyl-2-piperidineacetic acidmethyl ester |
Article Data | 28 |
Methyl phenidyl acetate Chemical Properties
IUPAC: Methyl 2-phenyl-2-piperidin-2-ylacetate
Methyl phenidyl acetate (113-45-1) is also called for 2-Piperidineacetic acid, alpha-phenyl-, methyl ester ; 4311/B Ciba ; C 4311 ; Calocain ; Daytrana ; EINECS 204-028-6 ; HSDB 3126 ; Meridil ; Methyl (2-phenyl-2-(2-piperidyl)acetate) ; Methyl alpha-phenyl-alpha-(2-piperidyl)acetate ; Methyl phenidate ; Methyl phenidylacetate ; Methylfenidan ; Methylphenidatum ;
Metilfenidato ; NCI-C56280 ; Phenidylate ; Plimasine ; UNII-207ZZ9QZ49 ; alpha-Phenyl-2-piperidineacetic acid methyl ester ; alpha-Phenyl-alpha-(2-piperidyl)acetic acid methyl ester and so on.
Molecular Formula: C14H19NO2
Molecular Weight: 233.30616
EINECS: 204-028-6
Flash Point: 152°C
Boiling Point: 327.6°C at 760 mmHg
Density: 1.07 g/cm3
LogP: ACD/LogP: 2.55
XLogP: 2.10
ALOGPS: 1.47
ACD/LogD (pH 5.5): -0.55
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 4
Index of Refraction: 1.523
Molar Refractivity: 66.61 cm3
Molar Volume: 218 cm3
Surface Tension: 39.6 dyne/cm
Vapour Pressure: 0.000199 mmHg at 25°C
Enthalpy of Vaporization: 57 kJ/mol
The molecular structure of Methyl phenidyl acetate (113-45-1) :
Methyl phenidyl acetate Uses
Methyl phenidyl acetate (113-45-1) is used as a psychostimulant drug approved for treatment of attention-deficit hyperactivity disorder , postural orthostatic tachycardia syndrome and narcolepsy. It may also be prescribed for off-label use in treatment-resistant cases of lethargy, depression, neural insult, and obesity. Methylphenidate belongs to the piperidine class of compounds and increases the levels of dopamine and norepinephrine in the brain through reuptake inhibition of the monoamine transporters.
Methyl phenidyl acetate Toxicity Data With Reference
| 1. | ipr-mus TDLo:200 mg/kg (10D preg):TER | CAJPBD Proceedings of the Congenital Anomalies Research Association of Japan. 3 (1963),2. | ||
| 2. | orl-cld TDLo:180 mg/kg/26W-I | AJPSAO American Journal of Psychiatry. 143 (1985),1176. | ||
| 3. | ivn-man LDLo:445 mg/kg/34W-I:PUL | HPCQA4 Human Pathology. 3 (1972),67. | ||
| 4. | ipr-rat LD50:430 mg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 17 (1960),121. | ||
| 5. | orl-mus LD50:190 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 131 (1961),115. | ||
| 6. | ipr-mus LD50:32 mg/kg | JNPHAG Journal de Pharmacologie. (Masson Publishing USA, Inc. 17 (1986),37. | ||
| 7. | scu-mus LD50:218 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 184 (1970),34. | ||
| 8. | ivn-mus LD50:41 mg/kg | BCPCA6 Biochemical Pharmacology. 8 (1961),263. |
Methyl phenidyl acetate Safety Profile
Poison experimentally by ingestion, intraperitoneal, intravenous, and subcutaneous routes. Moderately toxic to humans by intravenous route. Human systemic effects by intravenous route: dyspnea. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
Methyl phenidyl acetate Specification
Treatment of Methyl phenidyl acetate (113-45-1) in Wastewater, see as follows :
Total removal: 4.20 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 4.09 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
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