4-[(3S)-pyrrolidin-3-yl]morpholine

• ChemBase ID: 815665
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C1COCCN1[C@@H]1CNCC1
• Canonical SMILES: O1CCN(CC1)[C@@H]1CNCC1
• InChI: InChI=1S/C8H16N2O/c1-2-9-7-8(1)10-3-5-11-6-4-10/h8-9H,1-7H2/t8-/m0/s1
• InChIKey: OPJDRNMJJNFSNZ-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3S)-pyrrolidin-3-yl]morpholine
• IUPAC Traditional name: 4-[(3S)-pyrrolidin-3-yl]morpholine
• Synonyms: (S)-4-(pyrrolidin-3-yl)morpholine

Database IDs

• CAS Number: 216669-67-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7765143
• LogD (pH = 7.4): -3.4477358
• Log P: -0.44453254
• Molar Refractivity: 44.3536 cm^3
• Polarizability: 17.75141 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%