(1S,3R,7R,8S)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine dihydrobromide

• ChemBase ID: 207536
• Molecular Formular: C7H14Br2N2O
• Molecular Mass: 302.00686
• Monoisotopic Mass: 299.94728708
• SMILES: N12[C@H]3[C@H](O[C@@H]([C@H]3N)C1)CC2.Br.Br
• Canonical SMILES: N[C@@H]1[C@H]2CN3[C@H]1[C@H](O2)CC3.Br.Br
• InChI: InChI=1S/C7H12N2O.2BrH/c8-6-5-3-9-2-1-4(10-5)7(6)9;;/h4-7H,1-3,8H2;2*1H/t4-,5+,6-,7?;;/m1../s1
• InChIKey: OYXJWJKVDWGZMP-JQQDJIMVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,3R,7R,8S)-2-oxa-6-azatricyclo[4.2.1.0^3,^7]nonan-8-amine dihydrobromide
• IUPAC Traditional name: (1S,3R,7R,8S)-2-oxa-6-azatricyclo[4.2.1.0^3,^7]nonan-8-amine dihydrobromide

Database IDs

• PubChem SID: 164263446
• PubChem CID: 52994026

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.1877184
• LogD (pH = 7.4): -2.413491
• Log P: -0.86933666
• Molar Refractivity: 36.6206 cm^3
• Polarizability: 15.185484 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HBr
• Classification: Rare Derivatives of Natural Compounds