2-azaspiro[3.3]heptane hydrochloride

• ChemBase ID: 240691
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: N1CC2(C1)CCC2.Cl
• Canonical SMILES: C1CC2(C1)CNC2.Cl
• InChI: InChI=1S/C6H11N.ClH/c1-2-6(3-1)4-7-5-6;/h7H,1-5H2;1H
• InChIKey: OOGSZIVCFBCPFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azaspiro[3.3]heptane hydrochloride
• IUPAC Traditional name: 2-azaspiro[3.3]heptane hydrochloride
• Synonyms: 2-azaspiro[3.3]heptane hydrochloride

Database IDs

• MDL Number: MFCD21607345
• PubChem SID: 164296601
• PubChem CID: 71741940

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5836139
• LogD (pH = 7.4): -2.1299696
• Log P: 0.6480742
• Molar Refractivity: 29.1479 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.69

Product Information

• Purity: 95%