2-(2,4-dimethylphenyl)morpholine

• ChemBase ID: 283020
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: c1(c(cc(cc1)C)C)C1OCCNC1
• Canonical SMILES: Cc1ccc(c(c1)C)C1CNCCO1
• InChI: InChI=1S/C12H17NO/c1-9-3-4-11(10(2)7-9)12-8-13-5-6-14-12/h3-4,7,12-13H,5-6,8H2,1-2H3
• InChIKey: RTMGSKWGXJECPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dimethylphenyl)morpholine
• IUPAC Traditional name: 2-(2,4-dimethylphenyl)morpholine
• Synonyms: 2-(2,4-dimethylphenyl)morpholine

Database IDs

• MDL Number: MFCD11646221
• PubChem SID: 180668551
• PubChem CID: 43169334

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.16345055
• LogD (pH = 7.4): 1.5681069
• Log P: 2.399704
• Molar Refractivity: 58.1331 cm^3
• Polarizability: 22.72238 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 2.098

Product Information

• Purity: 95%