8-methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride

• ChemBase ID: 74047
• Molecular Formular: C8H18Cl2N2
• Molecular Mass: 213.14792
• Monoisotopic Mass: 212.08470395
• SMILES: N1(C2CC(CC1CC2)N)C.Cl.Cl
• Canonical SMILES: NC1CC2CCC(C1)N2C.Cl.Cl
• InChI: InChI=1S/C8H16N2.2ClH/c1-10-7-2-3-8(10)5-6(9)4-7;;/h6-8H,2-5,9H2,1H3;2*1H
• InChIKey: KVYQKWPZQKGICY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
• IUPAC Traditional name: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
• Synonyms: 8-Methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride

Database IDs

• CAS Number: 646477-45-4
• MDL Number: MFCD07366481; MFCD01073575
• PubChem SID: 162038966
• PubChem CID: 2775928

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.2339015
• LogD (pH = 7.4): -4.3132205
• Log P: -0.073321134
• Molar Refractivity: 42.2513 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 290(dec.)°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%; 95+%