methyl({[1-(pyridazin-3-yl)pyrrolidin-2-yl]methyl})amine dihydrobromide

• ChemBase ID: 276833
• Molecular Formular: C10H18Br2N4
• Molecular Mass: 354.08472
• Monoisotopic Mass: 351.9898206
• SMILES: N1(c2nnccc2)C(CNC)CCC1.Br.Br
• Canonical SMILES: CNCC1CCCN1c1cccnn1.Br.Br
• InChI: InChI=1S/C10H16N4.2BrH/c1-11-8-9-4-3-7-14(9)10-5-2-6-12-13-10;;/h2,5-6,9,11H,3-4,7-8H2,1H3;2*1H
• InChIKey: QBXXKNZVRLJSDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[1-(pyridazin-3-yl)pyrrolidin-2-yl]methyl})amine dihydrobromide
• IUPAC Traditional name: methyl({[1-(pyridazin-3-yl)pyrrolidin-2-yl]methyl})amine dihydrobromide
• Synonyms: methyl({[1-(pyridazin-3-yl)pyrrolidin-2-yl]methyl})amine dihydrobromide

Database IDs

• MDL Number: MFCD19686258
• PubChem SID: 164332743
• PubChem CID: 54594366

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6137311
• LogD (pH = 7.4): -1.6268344
• Log P: 0.5794659
• Molar Refractivity: 58.4421 cm^3
• Polarizability: 21.527493 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.17

Product Information

• Purity: 95%