1-(4-bromobutyl)pyrrolidine hydrobromide

• ChemBase ID: 237856
• Molecular Formular: C8H17Br2N
• Molecular Mass: 287.03528
• Monoisotopic Mass: 284.97277355
• SMILES: N1(CCCCBr)CCCC1.Br
• Canonical SMILES: BrCCCCN1CCCC1.Br
• InChI: InChI=1S/C8H16BrN.BrH/c9-5-1-2-6-10-7-3-4-8-10;/h1-8H2;1H
• InChIKey: SVGGSQFUZZWIQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromobutyl)pyrrolidine hydrobromide
• IUPAC Traditional name: 1-(4-bromobutyl)pyrrolidine hydrobromide
• Synonyms: 1-(4-bromobutyl)pyrrolidine hydrobromide

Database IDs

• MDL Number: MFCD22375284
• PubChem SID: 164293766
• PubChem CID: 71756026

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.0335436
• LogD (pH = 7.4): 0.6575745
• Log P: 2.0232744
• Molar Refractivity: 49.3659 cm^3
• Polarizability: 18.915806 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.262

Product Information

• Purity: 95%