3-(bromomethyl)-1-methylpyrrolidine hydrobromide

• ChemBase ID: 71614
• Molecular Formular: C6H13Br2N
• Molecular Mass: 258.98212
• Monoisotopic Mass: 256.94147342
• SMILES: N1(CC(CC1)CBr)C.Br
• Canonical SMILES: BrCC1CCN(C1)C.Br
• InChI: InChI=1S/C6H12BrN.BrH/c1-8-3-2-6(4-7)5-8;/h6H,2-5H2,1H3;1H
• InChIKey: SEHFPDOVQYNJDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromomethyl)-1-methylpyrrolidine hydrobromide
• IUPAC Traditional name: 3-(bromomethyl)-1-methylpyrrolidine hydrobromide
• Synonyms: 3-(Bromomethyl)-1-methylpyrrolidine hydrobromide

Database IDs

• MDL Number: MFCD20441434
• PubChem SID: 162103651
• PubChem CID: 71299895

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.795168
• LogD (pH = 7.4): -0.049647648
• Log P: 1.1059049
• Molar Refractivity: 39.8651 cm^3
• Polarizability: 15.2854185 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.344

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%