2-phenylmorpholine

• ChemBase ID: 118407
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: N1CC(OCC1)c1ccccc1
• Canonical SMILES: N1CCOC(C1)c1ccccc1
• InChI: InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2
• InChIKey: ZLNGFYDJXZZFJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylmorpholine
• IUPAC Traditional name: 2-phenylmorpholine
• Synonyms: 2-phenylmorpholine; 2-phenylmorpholine hydrochloride; 2-Phenylmorpholine

Database IDs

• CAS Number: 23972-41-0
• MDL Number: MFCD03869024; MFCD01713554
• PubChem SID: 162090166
• PubChem CID: 91101

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1635758
• LogD (pH = 7.4): 0.56966066
• Log P: 1.3728613
• Molar Refractivity: 48.0507 cm^3
• Polarizability: 19.189884 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.374
• Hydrophobicity(logP): 1.15

Product Information

• Purity: 95%; 95+%; 98%
• Salt Data: HCl
• Empirical Formula (Hill Notation): C10H13NO

DETAILS

Sigma Aldrich - CBR00091

Other Notes
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Legal Information
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