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Cas Database |
| Name |
N-Methylepinephrine |
EINECS | N/A |
| CAS No. | 554-99-4 | Density | 1.251g/cm3 |
| PSA | 63.93000 | LogP | 0.69280 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H15 N O3 | Boiling Point | 393.4°Cat760mmHg |
| Molecular Weight | 197.234 | Flash Point | 227°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzylalcohol, a-[(dimethylamino)methyl]-3,4-dihydroxy-(7CI,8CI); Protocatechuyl alcohol, a-(dimethylaminomethyl)- (6CI); 3,4-Dihydroxy-a-(dimethylaminomethyl)benzyl alcohol;DL-1-(3,4-Dihydroxyphenyl)-2-dimethylaminoethanol; Methadren;N-Methyladrenaline; N-Methylepinephrine; NSC 169812; dl-N-Methylepinephrine; a-(3,4-Dihydroxyphenyl)-a-hydroxy-b-dimethylaminoethane; a-(3,4-Dihydroxyphenyl)-b-dimethylaminoethanol; a-(Dimethylaminomethyl)protocatechuylalcohol |
Article Data | 5 |
N-Methylepinephrine Chemical Properties
Product Name: N-Methylepinephrine (CAS NO.554-99-4)
Molecular Formula: C10H15NO3
Molecular Weight: 197.231g/mol
Mol File: 554-99-4.mol
EINECS: 209-078-2
Boiling point: 393.4 °C at 760 mmHg
Flash Point: 227 °C
Density: 1.251 g/cm3
Surface Tension: 57.7 dyne/cm
Enthalpy of Vaporization: 67.85 kJ/mol
Vapour Pressure: 6.78E-07 mmHg at 25°C
XLogP3-AA: -0.3
H-Bond Donor: 3
H-Bond Acceptor: 4
Structure Descriptors of N-Methylepinephrine (CAS NO.554-99-4):
IUPAC Name: 4-[2-(dimethylamino)-1-hydroxyethyl]benzene-1,2-diol
Canonical SMILES: CN(C)CC(C1=CC(=C(C=C1)O)O)O
InChI: InChI=1S/C10H15NO3/c1-11(2)6-10(14)7-3-4-8(12)9(13)5-7/h3-5,10,12-14H,6H2,1-2H3
InChIKey: RLATYNCITHOLTJ-UHFFFAOYSA-N
N-Methylepinephrine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 7500ug/kg (7.5mg/kg) | CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 69, Pg. 1, 1940. |
| mouse | LD50 | intravenous | 6750ug/kg (6.75mg/kg) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 226, Pg. 493, 1955. | |
| mouse | LDLo | subcutaneous | 250mg/kg (250mg/kg) | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 127, 1948. | |
| rabbit | LD50 | intraperitoneal | 20mg/kg (20mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 69, Pg. 1, 1940. |
| rabbit | LD50 | intravenous | 2500ug/kg (2.5mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 69, Pg. 1, 1940. |
| rabbit | LD50 | subcutaneous | 25mg/kg (25mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 69, Pg. 1, 1940. |
| rat | LD50 | intraperitoneal | 50mg/kg (50mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 69, Pg. 1, 1940. |
| rat | LD50 | intravenous | 5mg/kg (5mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 69, Pg. 1, 1940. |
| rat | LD50 | subcutaneous | 105mg/kg (105mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 69, Pg. 1, 1940. |
N-Methylepinephrine Safety Profile
Poison by intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx.
N-Methylepinephrine Specification
N-Methylepinephrine , its CAS NO. is 554-99-4, the synonyms are 3,4-Dihydroxy-alpha-(dimethylaminomethyl) benzyl alcohol ; 3,4-Dihydroxy-alpha-(dimethylaminomethyl)benzyl alcohol ; EINECS 209-078-2 ; Methadrene ; NSC 169812 ; Protocatechuyl alcohol, alpha-((dimethylamino)methyl)- ; alpha-(3,4-Dihydroxyphenyl)-alpha-hydroxy-beta-dimethylaminoethane ; alpha-(3,4-Dihydroxyphenyl)-beta-dimethylaminoethanol ; alpha-(Dimethylaminomethyl)protocatechuyl alcohol ; 1,2-Benzenediol, 4-(2-(dimethylamino)-1-hydroxyethyl)- (9CI) ; 4-(2-(Dimethylamino)-1-hydroxyethyl)pyrocatechol ; Benzyl alcohol, alpha-((dimethylamino)methyl)-3,4-dihydroxy- .
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