5,5-dimethyl-2-phenylmorpholine

• ChemBase ID: 127507
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: c1ccccc1C1CNC(CO1)(C)C
• Canonical SMILES: CC1(C)NCC(OC1)c1ccccc1
• InChI: InChI=1S/C12H17NO/c1-12(2)9-14-11(8-13-12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
• InChIKey: KJUOROGOOZJYAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethyl-2-phenylmorpholine
• IUPAC Traditional name: 5,5-dimethyl-2-phenylmorpholine
• Synonyms: 5,5-dimethyl-2-phenylmorpholine; G-130; 5,5-dimethyl-2-phenyl-morpholine

Database IDs

• CAS Number: 42013-48-9
• MDL Number: MFCD01713893
• PubChem SID: 162221826
• PubChem CID: 97711
• Chemspider ID: 88190
• Wikipedia Title: G-130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.61056495
• LogD (pH = 7.4): 1.1036247
• Log P: 2.070013
• Molar Refractivity: 57.1077 cm^3
• Polarizability: 22.881493 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.188

Product Information

• Purity: 95%; 97%