4-[2-(piperazin-1-yl)ethyl]morpholine

• ChemBase ID: 18043
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: N1(CCN2CCOCC2)CCNCC1
• Canonical SMILES: N1CCN(CC1)CCN1CCOCC1
• InChI: InChI=1S/C10H21N3O/c1-3-12(4-2-11-1)5-6-13-7-9-14-10-8-13/h11H,1-10H2
• InChIKey: SAJZEJMFAWZNCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperazin-1-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(piperazin-1-yl)ethyl]morpholine
• Synonyms: 4-(2-Piperazin-1-yl-ethyl)-morpholine; 4-[2-(Piperazin-1-yl)ethyl]morpholine; 1-[2-(Morpholin-4-yl)ethyl]piperazine 98%; 4-[2-(1-Piperazinyl)ethyl]morpholine; 1-[2-(4-Morpholinyl)ethyl]piperazine; 4-(2-(piperazin-1-yl)ethyl)morpholine; 1-[2-(4-吗啉基)乙基]哌嗪

Database IDs

• CAS Number: 4892-89-1
• MDL Number: MFCD00191217
• PubChem SID: 160981350
• PubChem CID: 2734640

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.344483
• LogD (pH = 7.4): -2.6301875
• Log P: -0.54561484
• Molar Refractivity: 57.8371 cm^3
• Polarizability: 22.962423 Å^3
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-38°C
• Boiling Point: 106-107°C/0.2mm; 82-84°C
• Partition Coefficient: -1.133

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%