2-phenylmorpholine hydrochloride

• ChemBase ID: 55682
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: N1CC(OCC1)c1ccccc1.Cl
• Canonical SMILES: N1CCOC(C1)c1ccccc1.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;/h1-5,10-11H,6-8H2;1H
• InChIKey: LJKUJBAIFSUTNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylmorpholine hydrochloride
• IUPAC Traditional name: 2-phenylmorpholine hydrochloride
• Synonyms: 2-Phenylmorpholine hydrochloride; (Morpholin-2-yl)benzene hydrochloride

Database IDs

• CAS Number: 23972-42-1; 23972-41-0
• MDL Number: MFCD03869024
• PubChem SID: 162060445
• PubChem CID: 12343539

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

• Hydrophobicity(logP): 1.15

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl