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| CAS No.: | 15687-41-9 |
|---|---|
| Name: | Oxyfedrine |
| Molecular Structure: | |
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| Formula: | C19H23NO3 |
| Molecular Weight: | 313.39 |
| Synonyms: | 1-Propanone,3-[(2-hydroxy-1-methyl-2-phenylethyl)amino]-1-(3-methoxyphenyl)-, [R-(R*,S*)]-;(-)-Oxyfedrine;L-(1-Hydroxy-1-phenyl-2-propylamino)-1-(m-methoxyphenyl)-1-propanone;L-3-[(b-Hydroxy-a-methylphenethyl)amino]-3'-methoxypropiophenone;Oxyfedrin;Oxyfedrine;Oxyphedrine; |
| Density: | 1.122 g/cm3 |
| Boiling Point: | 475.2 °C at 760 mmHg |
| Flash Point: | 241.2 °C |
| PSA: | 58.56000 |
| LogP: | 4.17260 |
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Specification
The Oxyfedrine, with the CAS registry number 15687-41-9, is also known as (R-(R*,S*))-3-((2-Hydroxy-1-methyl-2-phenylethyl)amino)-1-( 3-methoxyphenyl)-1-propanone. This chemical's molecular formula is C19H23NO3 and molecular weight is 313.39. What's more, both its IUPAC name and systematic name are the same which is called 3-[[(1R,2S)-1-Hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one. This chemical's classification codes are Adrenergic Agents; Adrenergic Agonists; Adrenergic Beta-agonists; Cardiotonic Agents; Cardiovascular Agents; Neurotransmitter Agents; Protective Agents and Vasodilator Agents. Oxyfedrine is a vasodilator.
Physical properties about Oxyfedrine are: (1) ACD/LogP: 2.91; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4) ACD/LogD (pH 7.4): 2.04; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 12.86; (7) ACD/KOC (pH 5.5): 2.49; (8) ACD/KOC (pH 7.4): 122.48; (9) #H bond acceptors: 4; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 9; (12) Polar Surface Area: 38.77 Å2; (13) Index of Refraction: 1.566; (14) Molar Refractivity: 91.06 cm3; (15) Molar Volume: 279.1 cm3; (16) Surface Tension: 44.5 dyne/cm; (17) Density: 1.122 g/cm3; (18) Flash Point: 241.2 °C; (19) Enthalpy of Vaporization: 77.81 kJ/mol; (20) Boiling Point: 475.2 °C at 760 mmHg; (21) Vapour Pressure: 7.78E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(OC)ccc1)CCN[C@@H](C)[C@H](O)c2ccccc2
(2) InChI: InChI=1/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3/t14-,19-/m0/s1
(3) InChIKey: GDYUVHBMFVMBAF-LIRRHRJNBZ