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Some date about l-Methadone

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PostSubject: Some date about l-Methadone Thu Aug 05, 2010 6:01 pm



IUPAC Name: (6R)-6-(Dimethylamino)-4,4-diphenylheptan-3-one
Molecular Formula: C21H27NO


Cas Registry Number125-58-6
Molecular Weight: 309.445180 g/mol
XLogP3: 3.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
Isomeric SMILES: CCC(=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1


InChIKey: USSIQXCVUWKGNF-QGZVFWFLSA-NIndex of Refraction: 1.538
Molar Refractivity: 95.91 cm3
Molar Volume: 306.4 cm3
Flash Point: 126.5 C


Surface Tension: 37.1 dyne/cm
Density: 1.009 g/cm3
Enthalpy of Vaporization: 67.8 kJ/mol
Boiling Point: 423.7 C at 760 mmHg
Vapour Pressure: 2.2E-07 mmHg at 25 C
Water Solubility: 48.48 mg/L at 25 C
BRN of l-Methadone (CAS NO. 125-58-6): 3213668


l-Methadone is also known as (-)-Methadone ; (6R)-Methadone ; (R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone ; (R)-6-(Dimethylamino)-4,4-diphenyl-3-hetpanone ; 3-14-00-00278 (Beilstein Handbook Reference) ; L-6-(Dimethylamino)-4,4-diphenyl-3-heptanone ;
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