1-azaspiro[4.5]decane hydrochloride

• ChemBase ID: 244194
• Molecular Formular: C9H18ClN
• Molecular Mass: 175.69892
• Monoisotopic Mass: 175.11277726
• SMILES: N1C2(CCCCC2)CCC1.Cl
• Canonical SMILES: C1CCC2(CC1)CCCN2.Cl
• InChI: InChI=1S/C9H17N.ClH/c1-2-5-9(6-3-1)7-4-8-10-9;/h10H,1-8H2;1H
• InChIKey: KWMBQJLMRFYETK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azaspiro[4.5]decane hydrochloride
• IUPAC Traditional name: 1-azaspiro(4.5)decane hydrochloride
• Synonyms: 1-azaspiro[4.5]decane hydrochloride

Database IDs

• MDL Number: MFCD22628473
• PubChem SID: 164300104
• PubChem CID: 18780563

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3055829
• LogD (pH = 7.4): -1.2694752
• Log P: 1.9359583
• Molar Refractivity: 43.1382 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

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 2.367

Product Information

• Purity: 95%