4-(4-methylpyrrolidin-3-yl)morpholine

• ChemBase ID: 284500
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N1(C2C(CNC2)C)CCOCC1
• Canonical SMILES: CC1CNCC1N1CCOCC1
• InChI: InChI=1S/C9H18N2O/c1-8-6-10-7-9(8)11-2-4-12-5-3-11/h8-10H,2-7H2,1H3
• InChIKey: ZGQWNIBLHVLGPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylpyrrolidin-3-yl)morpholine
• IUPAC Traditional name: 4-(4-methylpyrrolidin-3-yl)morpholine
• Synonyms: 4-(4-methylpyrrolidin-3-yl)morpholine

Database IDs

• MDL Number: MFCD22196682
• PubChem SID: 180670031
• PubChem CID: 73994640

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3666847
• LogD (pH = 7.4): -3.0209467
• Log P: 0.034791023
• Molar Refractivity: 48.77 cm^3
• Polarizability: 19.593437 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.336

Product Information

• Purity: 95%