2-azaspiro[4.6]undecane

• ChemBase ID: 58154
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: C12(CCNC1)CCCCCC2
• Canonical SMILES: C1CCCC2(CC1)CNCC2
• InChI: InChI=1S/C10H19N/c1-2-4-6-10(5-3-1)7-8-11-9-10/h11H,1-9H2
• InChIKey: UYUUEEXDJGLCLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azaspiro[4.6]undecane
• IUPAC Traditional name: 2-azaspiro[4.6]undecane
• Synonyms: 2-Azaspiro[4.6]undecane

Database IDs

• CAS Number: 184-14-5
• MDL Number: MFCD06808629
• PubChem SID: 162062917
• PubChem CID: 23282818

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.97037685
• LogD (pH = 7.4): -0.8850978
• Log P: 2.2704415
• Molar Refractivity: 47.7059 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.926

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%