hydrogen 2-bromoethan-1-amine bromide

• ChemBase ID: 286721
• Molecular Formular: C2H6Br2N-
• Molecular Mass: 203.88374
• Monoisotopic Mass: 201.8866982
• SMILES: C(N)CBr.[Br-]
• Canonical SMILES: NCCBr.[Br-]
• InChI: InChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H/p-1
• InChIKey: WJAXXWSZNSFVNG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 2-bromoethan-1-amine bromide
• IUPAC Traditional name: hydrogen 2-bromoethanamine bromide
• Synonyms: 2-Bromoethylamine hydrobromide

Database IDs

• CAS Number: 2576-47-8
• MDL Number: MFCD00012886
• PubChem SID: 180672252
• PubChem CID: 60207120

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5470865
• LogD (pH = 7.4): -1.0099831
• Log P: 0.22452624
• Molar Refractivity: 22.2456 cm^3
• Polarizability: 8.794316 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%