2-(2-bromoethyl)-1-methylpyrrolidine hydrobromide

• ChemBase ID: 240698
• Molecular Formular: C7H15Br2N
• Molecular Mass: 273.0087
• Monoisotopic Mass: 270.95712349
• SMILES: N1(C(CCBr)CCC1)C.Br
• Canonical SMILES: BrCCC1CCCN1C.Br
• InChI: InChI=1S/C7H14BrN.BrH/c1-9-6-2-3-7(9)4-5-8;/h7H,2-6H2,1H3;1H
• InChIKey: ANVWKHJYNZBODE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethyl)-1-methylpyrrolidine hydrobromide
• IUPAC Traditional name: 2-(2-bromoethyl)-1-methylpyrrolidine hydrobromide
• Synonyms: 2-(2-bromoethyl)-1-methylpyrrolidine hydrobromide

Database IDs

• MDL Number: MFCD22392199
• PubChem SID: 164296608
• PubChem CID: 71756610

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.5189772
• LogD (pH = 7.4): 0.15782116
• Log P: 1.5656788
• Molar Refractivity: 44.3915 cm^3
• Polarizability: 17.097967 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.873

Product Information

• Purity: 95%