[(3R)-4-benzylmorpholin-3-yl]methanol

• ChemBase ID: 293886
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: OC[C@H]1N(Cc2ccccc2)CCOC1
• Canonical SMILES: OC[C@@H]1COCCN1Cc1ccccc1
• InChI: InChI=1S/C12H17NO2/c14-9-12-10-15-7-6-13(12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
• InChIKey: CPLXVETYMUMERG-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3R)-4-benzylmorpholin-3-yl]methanol
• IUPAC Traditional name: [(3R)-4-benzylmorpholin-3-yl]methanol
• Synonyms: (R)-(4-Benzylmorpholin-3-yl)methanol

Database IDs

• CAS Number: 101376-26-5
• MDL Number: MFCD06799481
• PubChem SID: 180679417
• PubChem CID: 1514271

CALCULATED PROPERTIES

• Acid pKa: 15.038294
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.51617724
• LogD (pH = 7.4): 0.8973926
• Log P: 1.0658072
• Molar Refractivity: 59.6377 cm^3
• Polarizability: 23.483105 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%