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

• ChemBase ID: 236277
• Molecular Formular: C10H21Cl2N3
• Molecular Mass: 254.19984
• Monoisotopic Mass: 253.11125305
• SMILES: N1(C2CC(CC1CC2)NN)C1CC1.Cl.Cl
• Canonical SMILES: NNC1CC2CCC(C1)N2C1CC1.Cl.Cl
• InChI: InChI=1S/C10H19N3.2ClH/c11-12-7-5-9-3-4-10(6-7)13(9)8-1-2-8;;/h7-10,12H,1-6,11H2;2*1H
• InChIKey: PGVYAVIOELJOKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22196557
• PubChem SID: 164292187
• PubChem CID: 71755682

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.3832881
• LogD (pH = 7.4): -2.4832344
• Log P: 0.20758799
• Molar Refractivity: 64.4394 cm^3
• Polarizability: 21.346249 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.368

Product Information

• Purity: 95%