3-hydrazinyl-8-methyl-8-azabicyclo[3.2.1]octane dihydrochloride

• ChemBase ID: 269754
• Molecular Formular: C8H19Cl2N3
• Molecular Mass: 228.16256
• Monoisotopic Mass: 227.09560298
• SMILES: N1(C2CC(CC1CC2)NN)C.Cl.Cl
• Canonical SMILES: NNC1CC2CCC(C1)N2C.Cl.Cl
• InChI: InChI=1S/C8H17N3.2ClH/c1-11-7-2-3-8(11)5-6(4-7)10-9;;/h6-8,10H,2-5,9H2,1H3;2*1H
• InChIKey: FPJPPHIRCNXRME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-8-methyl-8-azabicyclo[3.2.1]octane dihydrochloride
• IUPAC Traditional name: 3-hydrazinyl-8-methyl-8-azabicyclo[3.2.1]octane dihydrochloride
• Synonyms: 3-hydrazinyl-8-methyl-8-azabicyclo[3.2.1]octane dihydrochloride

Database IDs

• MDL Number: MFCD19442668
• PubChem SID: 164325664
• PubChem CID: 13799981

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.8439507
• LogD (pH = 7.4): -2.8889792
• Log P: -0.25797653
• Molar Refractivity: 57.2282 cm^3
• Polarizability: 18.391314 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.692

Product Information

• Purity: 95%