4-(pyrrolidin-3-yl)morpholine

• ChemBase ID: 53699
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1(CCOCC1)C1CNCC1
• Canonical SMILES: O1CCN(CC1)C1CNCC1
• InChI: InChI=1S/C8H16N2O/c1-2-9-7-8(1)10-3-5-11-6-4-10/h8-9H,1-7H2
• InChIKey: OPJDRNMJJNFSNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-3-yl)morpholine
• IUPAC Traditional name: 4-(pyrrolidin-3-yl)morpholine
• Synonyms: 4-Pyrrolidin-3-yl morpholine; 3-(4-Morpholinyl)pyrrolidine; 4-(3-Pyrrolidino)morpholine; 4-(3-Pyrrolidinyl)morpholine; 3-(Morpholin-4-yl)pyrrolidine; 4-(Pyrrolidin-3-yl)morpholine; 4-(3-吡咯烷基)吗啉

Database IDs

• CAS Number: 53617-37-1(RS); 53617-37-1
• MDL Number: MFCD06740352
• PubChem SID: 162058462
• PubChem CID: 14627373

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

Physical Property

• Hydrophobicity(logP): -0.855

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 97%; 98%