4-(cyclopent-1-en-1-yl)morpholine

• ChemBase ID: 148127
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: C1CC=C(C1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)C1=CCCC1
• InChI: InChI=1S/C9H15NO/c1-2-4-9(3-1)10-5-7-11-8-6-10/h3H,1-2,4-8H2
• InChIKey: VAPOFMGACKUWCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopent-1-en-1-yl)morpholine
• IUPAC Traditional name: 4-(cyclopent-1-en-1-yl)morpholine
• Synonyms: 4-(1-Cyclopenten-1-yl)morpholine; 1-Morpholinocyclopentene; 1-(4-Morpholino)cyclopentene; 1-(4-Morpholinyl)cyclopentene; 4-(1-Cyclopenten-1-yl)morpholine; 4-(1-环戊烯-1-基)吗啉; 1-吗啉环戊烯; 1-(4-吗啡啉)环戊烯

Database IDs

• CAS Number: 936-52-7
• EC Number: 213-316-0
• MDL Number: MFCD00006162
• Beilstein Number: 117154
• PubChem SID: 162242304; 24892363; 24886030
• PubChem CID: 70294

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2950943
• LogD (pH = 7.4): 0.4385323
• Log P: 0.9941143
• Molar Refractivity: 46.9692 cm^3
• Polarizability: 17.433807 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105-106 °C/12 mmHg(lit.); 105-106°C/12mm
• Flash Point: 140 °F; 60 °C; 64°C(147°F)
• Density: 0.957; 0.957 g/mL at 25 °C(lit.)
• Refractive Index: 1.5118; n20/D 1.512; n20/D 1.512(lit.)

Safety Information

• RTECS: QE0685000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (GC); 96%
• Grade: technical
• Empirical Formula (Hill Notation): C9H15NO

DETAILS

Sigma Aldrich - C114901

Packaging
25, 100 g in glass bottle

REFERENCES

• For general references for enamines, see preceding entry.