3-methyl-5-phenylmorpholine hydrochloride

• ChemBase ID: 245187
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: N1C(c2ccccc2)COCC1C.Cl
• Canonical SMILES: CC1COCC(N1)c1ccccc1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-9-7-13-8-11(12-9)10-5-3-2-4-6-10;/h2-6,9,11-12H,7-8H2,1H3;1H
• InChIKey: NGSNLLZWPJEGNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-5-phenylmorpholine hydrochloride
• IUPAC Traditional name: 3-methyl-5-phenylmorpholine hydrochloride
• Synonyms: 3-methyl-5-phenylmorpholine hydrochloride

Database IDs

• MDL Number: MFCD22741309
• PubChem SID: 164301097
• PubChem CID: 71757661

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6141137
• LogD (pH = 7.4): 1.1169295
• Log P: 1.7894363
• Molar Refractivity: 52.4695 cm^3
• Polarizability: 21.037281 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214 - 216°C
• Hydrophobicity(logP): 1.669

Product Information

• Purity: 95%