4-(3-chloropropyl)morpholine

• ChemBase ID: 53986
• Molecular Formular: C7H14ClNO
• Molecular Mass: 163.64516
• Monoisotopic Mass: 163.07639175
• SMILES: C1OCCN(C1)CCCCl
• Canonical SMILES: ClCCCN1CCOCC1
• InChI: InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
• InChIKey: PIAZYBLGBSMNLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-chloropropyl)morpholine
• IUPAC Traditional name: 4-(3-chloropropyl)morpholine
• Synonyms: 4-(3-Chloro-propyl)-morpholine; 4-(3-Chloropropyl)morpholine; 1-Chloro-3-morpholinopropane; 3-(Morpholin-4-yl)propyl Chloride; 3-Chloro-1-(morpholin-4-yl)propane; 3-Morpholinopropyl Chloride; NSC 28831; NSC 38889; 4-(3-Chloropropyl)morpholine

Database IDs

• CAS Number: 57616-74-7; 7357-67-7
• EC Number: 461-510-0
• MDL Number: MFCD00039714
• PubChem SID: 162058749
• PubChem CID: 95834

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.80407095
• LogD (pH = 7.4): 0.5532894
• Log P: 0.6961186
• Molar Refractivity: 43.2713 cm^3
• Polarizability: 16.948196 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere
• Storage Warning: IRRITANT
• RTECS: QE0488000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%; 95+%; 98%

DETAILS

Toronto Research Chemicals - C379750

Gefitinib intermediate.

REFERENCES

• Kelly, L., et al.: Cancer Cell., 1, 421 (2002)
• Pandey, A., et al.: J. Med. Chem., 45, 3772 (2002)
• Ciardiello, F., et al.: Exp. Opin Emerg. Drugs, 8, 501 (2002)
• Caponigro, F., et al.: Curr. Opin Oncol., 16, 225 (2002)