12-bromododecan-1-amine hydrobromide

• ChemBase ID: 162745
• Molecular Formular: C12H27Br2N
• Molecular Mass: 345.15748
• Monoisotopic Mass: 343.05102387
• SMILES: NCCCCCCCCCCCCBr.Br
• Canonical SMILES: NCCCCCCCCCCCCBr.Br
• InChI: InChI=1S/C12H26BrN.BrH/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;/h1-12,14H2;1H
• InChIKey: IBCCPATXXWXOQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12-bromododecan-1-amine hydrobromide
• IUPAC Traditional name: 12-bromododecan-1-amine hydrobromide
• Synonyms: 12-Bromo-1-dodecanamine Hydrobromide; 12-Bromo-1-aminododecane, Hydrobromide

Database IDs

• CAS Number: 14502-45-5
• PubChem SID: 162256880
• PubChem CID: 57348477

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3344097
• LogD (pH = 7.4): 1.7541863
• Log P: 4.358398
• Molar Refractivity: 68.5636 cm^3
• Polarizability: 26.937119 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White Solid