4-(pyrrolidin-3-ylmethyl)morpholine

• ChemBase ID: 282386
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N1(CC2CNCC2)CCOCC1
• Canonical SMILES: O1CCN(CC1)CC1CNCC1
• InChI: InChI=1S/C9H18N2O/c1-2-10-7-9(1)8-11-3-5-12-6-4-11/h9-10H,1-8H2
• InChIKey: JEQJKJPNFWHBRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-3-ylmethyl)morpholine
• IUPAC Traditional name: 4-(pyrrolidin-3-ylmethyl)morpholine
• Synonyms: 4-(pyrrolidin-3-ylmethyl)morpholine

Database IDs

• MDL Number: MFCD09036034
• PubChem SID: 180667917
• PubChem CID: 14627371

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.701877
• LogD (pH = 7.4): -3.5566308
• Log P: -0.326984
• Molar Refractivity: 49.3372 cm^3
• Polarizability: 19.593437 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.037

Product Information

• Purity: 95%