1-bromo-2-methylpropan-2-amine hydrobromide

• ChemBase ID: 246493
• Molecular Formular: C4H11Br2N
• Molecular Mass: 232.94484
• Monoisotopic Mass: 230.92582336
• SMILES: C(N)(CBr)(C)C.Br
• Canonical SMILES: BrCC(N)(C)C.Br
• InChI: InChI=1S/C4H10BrN.BrH/c1-4(2,6)3-5;/h3,6H2,1-2H3;1H
• InChIKey: SWSWNZVDRPLRSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-methylpropan-2-amine hydrobromide
• IUPAC Traditional name: 1-bromo-2-methylpropan-2-amine hydrobromide
• Synonyms: 1-bromo-2-methylpropan-2-amine hydrobromide

Database IDs

• MDL Number: MFCD23144309
• PubChem SID: 164302403
• PubChem CID: 13908054

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9806046
• LogD (pH = 7.4): -0.6607454
• Log P: 0.92167795
• Molar Refractivity: 31.3026 cm^3
• Polarizability: 12.368214 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.776

Product Information

• Purity: 95%