5-azaspiro[2.4]heptane hydrochloride

• ChemBase ID: 247363
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: C12(CC1)CNCC2.Cl
• Canonical SMILES: C1NCC2(C1)CC2.Cl
• InChI: InChI=1S/C6H11N.ClH/c1-2-6(1)3-4-7-5-6;/h7H,1-5H2;1H
• InChIKey: NCTCZAISXOQDKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-azaspiro[2.4]heptane hydrochloride
• IUPAC Traditional name: 5-azaspiro[2.4]heptane hydrochloride
• Synonyms: 5-azaspiro[2.4]heptane hydrochloride

Database IDs

• MDL Number: MFCD21099571
• PubChem SID: 164303273
• PubChem CID: 70700605

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7483737
• LogD (pH = 7.4): -2.6456132
• Log P: 0.49216676
• Molar Refractivity: 29.3019 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

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 0.69

Product Information

• Purity: 95%