2-azaspiro[4.4]nonane

• ChemBase ID: 58153
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: C12(CCCC1)CNCC2
• Canonical SMILES: C1CCC2(C1)CCNC2
• InChI: InChI=1S/C8H15N/c1-2-4-8(3-1)5-6-9-7-8/h9H,1-7H2
• InChIKey: NINJAJLCZUYDGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azaspiro[4.4]nonane
• IUPAC Traditional name: 2-azaspiro[4.4]nonane
• Synonyms: 2-Azaspiro[4.4]nonane

Database IDs

• CAS Number: 175-94-0
• MDL Number: MFCD06808628
• PubChem SID: 162062916
• PubChem CID: 418904

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8595142
• LogD (pH = 7.4): -1.7742351
• Log P: 1.3813041
• Molar Refractivity: 38.5039 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.808

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%