(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide

• ChemBase ID: 271011
• Molecular Formular: C6H14Br2N2
• Molecular Mass: 273.99676
• Monoisotopic Mass: 271.95237246
• SMILES: N1([C@@H]2C[C@@H](NC2)C1)C.Br.Br
• Canonical SMILES: CN1C[C@H]2C[C@@H]1CN2.Br.Br
• InChI: InChI=1S/C6H12N2.2BrH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m1../s1
• InChIKey: WLUAJCSMROZCDP-BNTLRKBRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide
• IUPAC Traditional name: (1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide
• Synonyms: (1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide

Database IDs

• MDL Number: MFCD08282791
• PubChem SID: 164326921
• PubChem CID: 15629281

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5650754
• LogD (pH = 7.4): -2.9038303
• Log P: -0.33778995
• Molar Refractivity: 32.9803 cm^3
• Polarizability: 13.381781 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.285

Product Information

• Purity: 95%