(1R,9aR)-1-(bromomethyl)-octahydro-1H-quinolizine hydrobromide

• ChemBase ID: 119296
• Molecular Formular: C10H19Br2N
• Molecular Mass: 313.07256
• Monoisotopic Mass: 310.98842361
• SMILES: N12[C@@H]([C@H](CBr)CCC1)CCCC2.Br
• Canonical SMILES: BrC[C@@H]1CCCN2[C@@H]1CCCC2.Br
• InChI: InChI=1S/C10H18BrN.BrH/c11-8-9-4-3-7-12-6-2-1-5-10(9)12;/h9-10H,1-8H2;1H/t9-,10+;/m0./s1
• InChIKey: CENCXUVVMYXOLG-BAUSSPIASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,9aR)-1-(bromomethyl)-octahydro-1H-quinolizine hydrobromide
• IUPAC Traditional name: (1R,9aR)-1-(bromomethyl)-octahydro-1H-quinolizine hydrobromide
• Synonyms: (1R,9aR)-1-(bromomethyl)octahydro-1H-quinolizine hydrobromide

Database IDs

• PubChem SID: 162108053
• PubChem CID: 51051772

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.9267449
• LogD (pH = 7.4): 0.35151258
• Log P: 2.4606068
• Molar Refractivity: 56.2783 cm^3
• Polarizability: 21.854097 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HBr
• Classification: Derivatives & analogs of Natural Compounds