4-(2-chloropropyl)morpholine hydrochloride

• ChemBase ID: 246764
• Molecular Formular: C7H15Cl2NO
• Molecular Mass: 200.1061
• Monoisotopic Mass: 199.05306947
• SMILES: N1(CC(Cl)C)CCOCC1.Cl
• Canonical SMILES: CC(CN1CCOCC1)Cl.Cl
• InChI: InChI=1S/C7H14ClNO.ClH/c1-7(8)6-9-2-4-10-5-3-9;/h7H,2-6H2,1H3;1H
• InChIKey: AUQKBHRNJGORDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloropropyl)morpholine hydrochloride
• IUPAC Traditional name: 4-(2-chloropropyl)morpholine hydrochloride
• Synonyms: 4-(2-chloropropyl)morpholine hydrochloride

Database IDs

• PubChem SID: 164302674
• PubChem CID: 71758071

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.037106264
• LogD (pH = 7.4): 1.0041908
• Log P: 1.0527339
• Molar Refractivity: 42.8247 cm^3
• Polarizability: 16.9495 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175 - 177°C
• Hydrophobicity(logP): 1.288

Product Information

• Purity: 95%