2-azaspiro[4.5]decane

• ChemBase ID: 58149
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: C12(CCNC1)CCCCC2
• Canonical SMILES: C1CCC2(CC1)CNCC2
• InChI: InChI=1S/C9H17N/c1-2-4-9(5-3-1)6-7-10-8-9/h10H,1-8H2
• InChIKey: SFCOKGCNIPSUQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azaspiro[4.5]decane
• IUPAC Traditional name: 2-azaspiro[4.5]decane
• Synonyms: 2-Azaspiro[4.5]decane

Database IDs

• CAS Number: 176-66-9
• MDL Number: MFCD06656114
• PubChem SID: 162062912
• PubChem CID: 418822

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4149456
• LogD (pH = 7.4): -1.3296665
• Log P: 1.8258728
• Molar Refractivity: 43.1049 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.367

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%