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

• ChemBase ID: 193971
• Molecular Formular: C7H14Cl2N2O
• Molecular Mass: 213.10486
• Monoisotopic Mass: 212.04831844
• SMILES: N12[C@H]3C(OC([C@H]3N)C1)CC2.Cl.Cl
• Canonical SMILES: N[C@@H]1C2CN3[C@H]1C(O2)CC3.Cl.Cl
• InChI: InChI=1S/C7H12N2O.2ClH/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: WKMZVIFRRLOOHL-LJASEIRJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249881
• PubChem CID: 52993785

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 HCl
• Classification: Genuine Natural Compounds