3-(2-methylpropyl)morpholine

• ChemBase ID: 274657
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1C(CC(C)C)COCC1
• Canonical SMILES: CC(CC1NCCOC1)C
• InChI: InChI=1S/C8H17NO/c1-7(2)5-8-6-10-4-3-9-8/h7-9H,3-6H2,1-2H3
• InChIKey: INIRYZSIQPENMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpropyl)morpholine
• IUPAC Traditional name: 3-(2-methylpropyl)morpholine
• Synonyms: 3-isobutylmorpholine; 3-(2-methylpropyl)morpholine

Database IDs

• CAS Number: 959238-46-1
• MDL Number: MFCD09864408
• PubChem SID: 164330567
• PubChem CID: 20811826

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.670654
• LogD (pH = 7.4): -0.0755697
• Log P: 1.2593063
• Molar Refractivity: 41.8603 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.568

Product Information

• Purity: 95%