(2-aminoethyl)dimethylamine dihydrobromide

• ChemBase ID: 123277
• Molecular Formular: C4H14Br2N2
• Molecular Mass: 249.97536
• Monoisotopic Mass: 247.95237246
• SMILES: N(CCN)(C)C.Br.Br
• Canonical SMILES: NCCN(C)C.Br.Br
• InChI: InChI=1S/C4H12N2.2BrH/c1-6(2)4-3-5;;/h3-5H2,1-2H3;2*1H
• InChIKey: MDXXRKKHSWLPQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)dimethylamine dihydrobromide
• IUPAC Traditional name: (2-aminoethyl)dimethylamine dihydrobromide
• Synonyms: N1,N1-dimethylethane-1,2-diamine dihydrobromide

Database IDs

• PubChem SID: 162217630
• PubChem CID: 21844772

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.149258
• LogD (pH = 7.4): -2.8907795
• Log P: -0.6068143
• Molar Refractivity: 27.9379 cm^3
• Polarizability: 11.1656475 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HBr