1-chloro-3-methoxypropane

• ChemBase ID: 164386
• Molecular Formular: C4H9ClO
• Molecular Mass: 108.56666
• Monoisotopic Mass: 108.03419259
• SMILES: ClCCCOC
• Canonical SMILES: COCCCCl
• InChI: InChI=1S/C4H9ClO/c1-6-4-2-3-5/h2-4H2,1H3
• InChIKey: BQLHMMQUVJCTAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-3-methoxypropane
• IUPAC Traditional name: 1-chloro-3-methoxy-propane
• Synonyms: 3-Chloropropyl Methyl Ether; 3-Methoxypropyl Chloride; 1-Chloro-3-methoxypropane

Database IDs

• CAS Number: 36215-07-3
• MDL Number: MFCD05663419
• PubChem SID: 162258521
• PubChem CID: 118927

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.848999
• LogD (pH = 7.4): 0.848999
• Log P: 0.848999
• Molar Refractivity: 27.2212 cm^3
• Polarizability: 10.642822 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Clear Colorless Liquid
• Hydrophobicity(logP): 0.733

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95%