3-phenylmorpholine hydrochloride

• ChemBase ID: 76296
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: N1C(c2ccccc2)COCC1.Cl
• Canonical SMILES: O1CCNC(C1)c1ccccc1.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-2-4-9(5-3-1)10-8-12-7-6-11-10;/h1-5,10-11H,6-8H2;1H
• InChIKey: BZPHPXWWVHPSOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylmorpholine hydrochloride
• IUPAC Traditional name: 3-phenylmorpholine hydrochloride
• Synonyms: (Morpholin-3-yl)benzene hydrochloride; 3-Phenylmorpholine hydrochloride

Database IDs

• MDL Number: MFCD03840086
• PubChem SID: 162041202
• PubChem CID: 17749820

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9510636
• LogD (pH = 7.4): 0.77107644
• Log P: 1.3728613
• Molar Refractivity: 48.0507 cm^3
• Polarizability: 19.191576 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant