2-azaspiro[3.3]heptane

• ChemBase ID: 61789
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: C1NCC21CCC2
• Canonical SMILES: C1CC2(C1)CNC2
• InChI: InChI=1S/C6H11N/c1-2-6(3-1)4-7-5-6/h7H,1-5H2
• InChIKey: QPEJAHMNOVMSOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 665-04-3
• MDL Number: MFCD11186837
• PubChem SID: 162027528
• PubChem CID: 20521856

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%