3-methyl-2-phenylmorpholine hydrochloride

• ChemBase ID: 176479
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: C1OC(C(NC1)C)c1ccccc1.Cl
• Canonical SMILES: CC1NCCOC1c1ccccc1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;/h2-6,9,11-12H,7-8H2,1H3;1H
• InChIKey: VJNXVAVKCZJOFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-2-phenylmorpholine hydrochloride
• IUPAC Traditional name: phenmetrazine hydrochloride
• Synonyms: 3-Methyl-2-phenylmorpholine Hydrochloride; 2-Phenyl-3-methyltetrahydro-1,4-oxazine Hydrochloride; Marsine; Mefolin; Neo-Zine; Preludin; Preludin Hydrochloride; Phenmetrazine Hydrochloride

Database IDs

• CAS Number: 1707-14-8
• PubChem SID: 164232389
• PubChem CID: 92159

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.81888133
• LogD (pH = 7.4): 0.9080251
• Log P: 1.7894363
• Molar Refractivity: 52.4695 cm^3
• Polarizability: 21.035545 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid
• Melting Point: 175-177°C

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer

DETAILS

Toronto Research Chemicals - P314500

Anorexic.Controlled substance (stimulant).

REFERENCES

• Klosa, et al.: J. Prakt. Chem., 21, 12 (1963)
• Leibowitz, S.F., et al.: Eur. J. Pharmacol., 53, 69 (1963)