3-(bromomethyl)-1-ethylpyrrolidine

• ChemBase ID: 309718
• Molecular Formular: C7H14BrN
• Molecular Mass: 192.09676
• Monoisotopic Mass: 191.03096145
• SMILES: N1(CC(CC1)CBr)CC
• Canonical SMILES: BrCC1CCN(C1)CC
• InChI: InChI=1S/C7H14BrN/c1-2-9-4-3-7(5-8)6-9/h7H,2-6H2,1H3
• InChIKey: NHQOTAGIRMJBCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromomethyl)-1-ethylpyrrolidine
• IUPAC Traditional name: 3-(bromomethyl)-1-ethylpyrrolidine
• Synonyms: 3-(bromomethyl)-1-ethylpyrrolidine

Database IDs

• MDL Number: MFCD19982732

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.6081947
• LogD (pH = 7.4): 0.07589265
• Log P: 1.4627129
• Molar Refractivity: 44.6137 cm^3
• Polarizability: 17.0981 Å^3
• Polar Surface Area: 3.24 Å^2