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| CAS No.: | 90-83-5 |
|---|---|
| Name: | Racephedrine |
| Molecular Structure: | |
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| Formula: | C10H15NO |
| Molecular Weight: | 165.235 |
| Synonyms: | (R*,S*)-(+-)-alpha-(1-(Methylamino)ethyl)benzyl alcohol;Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R*,S*)-(+-)- (9CI);(+-)-Ephedrine;Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, (alphaS)-rel-;4-13-00-01881 (Beilstein Handbook Reference);2-methylamino-1-phenyl-propan-1-ol;Ephedrine dl-; |
| Density: | 1.015 g/cm3 |
| Melting Point: | 38.1oC |
| Boiling Point: | 255 °C at 760 mmHg |
| Flash Point: | 85.6 °C |
| PSA: | 96.82000 |
| LogP: | 0.58650 |
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Specification
The Ephedrine, (+-)-, with CAS registry number 90-83-5, has the systematic name of 2-(methylamino)-1-phenylpropan-1-ol. And its IUPAC name is the same one. Its classification code is Drug / Therapeutic Agent. What's more, the chemical formula of this chemical is C10H15NO.
Physical properties of Ephedrine, (+-)-: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.99; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 50.15 cm3; (15)Molar Volume: 162.7 cm3; (16)Polarizability: 19.88×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Enthalpy of Vaporization: 52.03 kJ/mol; (19)Vapour Pressure: 0.00865 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)C(NC)C
(2)InChI: InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
(3)InChIKey: KWGRBVOPPLSCSI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
(5)Std. InChIKey: KWGRBVOPPLSCSI-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | intraperitoneal | 170mg/kg (170mg/kg) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 195, Pg. 647, 1940. |