4-(3-bromopropyl)morpholine hydrobromide

• ChemBase ID: 280188
• Molecular Formular: C7H15Br2NO
• Molecular Mass: 289.0081
• Monoisotopic Mass: 286.95203811
• SMILES: N1(CCCBr)CCOCC1.Br
• Canonical SMILES: BrCCCN1CCOCC1.Br
• InChI: InChI=1S/C7H14BrNO.BrH/c8-2-1-3-9-4-6-10-7-5-9;/h1-7H2;1H
• InChIKey: BOKDFWMGFIWGSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-bromopropyl)morpholine hydrobromide
• IUPAC Traditional name: 4-(3-bromopropyl)morpholine hydrobromide
• Synonyms: 4-(3-bromopropyl)morpholine hydrobromide

Database IDs

• MDL Number: MFCD13176498
• PubChem SID: 180665719
• PubChem CID: 21509538

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.14836042
• LogD (pH = 7.4): 0.8313617
• Log P: 0.88161385
• Molar Refractivity: 46.2548 cm^3
• Polarizability: 17.862986 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 1.228

Product Information

• Purity: 95%