1-(2-bromoethyl)pyrrolidine hydrochloride

• ChemBase ID: 798835
• Molecular Formular: C6H13BrClN
• Molecular Mass: 214.53112
• Monoisotopic Mass: 212.9919891
• SMILES: Cl.N1(CCCC1)CCBr
• Canonical SMILES: BrCCN1CCCC1.Cl
• InChI: InChI=1S/C6H12BrN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H
• InChIKey: GWEXSMZNVPJTCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethyl)pyrrolidine hydrochloride
• IUPAC Traditional name: 1-(2-bromoethyl)pyrrolidine hydrochloride
• Synonyms: 1-(2-Bromo-ethyl)-pyrrolidine hydrochloride

Database IDs

• CAS Number: 106536-48-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.0440704
• LogD (pH = 7.4): 0.722541
• Log P: 1.445952
• Molar Refractivity: 39.8559 cm^3
• Polarizability: 15.2858925 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%