3-ethoxyspiro[3.5]nonan-1-amine hydrochloride

• ChemBase ID: 282660
• Molecular Formular: C11H22ClNO
• Molecular Mass: 219.75148
• Monoisotopic Mass: 219.13899201
• SMILES: C12(C(CC1OCC)N)CCCCC2.Cl
• Canonical SMILES: CCOC1CC(C21CCCCC2)N.Cl
• InChI: InChI=1S/C11H21NO.ClH/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11;/h9-10H,2-8,12H2,1H3;1H
• InChIKey: AHUQOXOZGIWAHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxyspiro[3.5]nonan-1-amine hydrochloride
• IUPAC Traditional name: 3-ethoxyspiro[3.5]nonan-1-amine hydrochloride
• Synonyms: 3-ethoxyspiro[3.5]nonan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20441638
• PubChem SID: 180668191
• PubChem CID: 54595453

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4166471
• LogD (pH = 7.4): -0.7223326
• Log P: 1.5939575
• Molar Refractivity: 53.5732 cm^3
• Polarizability: 21.75466 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 2.602

Product Information

• Purity: 95%