6-bromohexan-1-amine hydrobromide

• ChemBase ID: 162902
• Molecular Formular: C6H15Br2N
• Molecular Mass: 260.998
• Monoisotopic Mass: 258.95712349
• SMILES: BrCCCCCCN.Br
• Canonical SMILES: NCCCCCCBr.Br
• InChI: InChI=1S/C6H14BrN.BrH/c7-5-3-1-2-4-6-8;/h1-6,8H2;1H
• InChIKey: YVSSXFHBAIZVEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromohexan-1-amine hydrobromide
• IUPAC Traditional name: 6-bromohexan-1-amine hydrobromide
• Synonyms: 6-Bromo-1-hexanamine Hydrobromide; 6-Bromohexylamine Hydrobromide

Database IDs

• CAS Number: 14502-76-2
• PubChem SID: 162257037
• PubChem CID: 45038450

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3330022
• LogD (pH = 7.4): -0.91322565
• Log P: 1.690986
• Molar Refractivity: 40.9576 cm^3
• Polarizability: 15.982837 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: White Solid
• Melting Point: 142-144°C

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere