2-(bromomethyl)-1-ethylpyrrolidine hydrobromide

• ChemBase ID: 55447
• Molecular Formular: C7H15Br2N
• Molecular Mass: 273.0087
• Monoisotopic Mass: 270.95712349
• SMILES: N1(CCCC1CBr)CC.Br
• Canonical SMILES: BrCC1CCCN1CC.Br
• InChI: InChI=1S/C7H14BrN.BrH/c1-2-9-5-3-4-7(9)6-8;/h7H,2-6H2,1H3;1H
• InChIKey: XEXHCRLZJBFJRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-1-ethylpyrrolidine hydrobromide
• IUPAC Traditional name: 2-(bromomethyl)-1-ethylpyrrolidine hydrobromide
• Synonyms: 2-(Bromomethyl)-1-ethylpyrrolidine hydrobromide

Database IDs

• MDL Number: MFCD16618479
• PubChem SID: 162060210
• PubChem CID: 56773571

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.8608797
• LogD (pH = 7.4): 0.91052234
• Log P: 1.862527
• Molar Refractivity: 44.2747 cm^3
• Polarizability: 17.098726 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false