3-ethoxy-N-methylspiro[3.5]nonan-1-amine hydrochloride

• ChemBase ID: 279290
• Molecular Formular: C12H24ClNO
• Molecular Mass: 233.77806
• Monoisotopic Mass: 233.15464207
• SMILES: C12(C(CC1OCC)NC)CCCCC2.Cl
• Canonical SMILES: CCOC1CC(C21CCCCC2)NC.Cl
• InChI: InChI=1S/C12H23NO.ClH/c1-3-14-11-9-10(13-2)12(11)7-5-4-6-8-12;/h10-11,13H,3-9H2,1-2H3;1H
• InChIKey: POGKPROWLOJWTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-N-methylspiro[3.5]nonan-1-amine hydrochloride
• IUPAC Traditional name: 3-ethoxy-N-methylspiro[3.5]nonan-1-amine hydrochloride
• Synonyms: 3-ethoxy-N-methylspiro[3.5]nonan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20233644
• PubChem SID: 164335200
• PubChem CID: 54595227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.197237
• LogD (pH = 7.4): -0.5718485
• Log P: 2.026538
• Molar Refractivity: 58.3478 cm^3
• Polarizability: 23.599113 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 208 - 210°C
• Hydrophobicity(logP): 2.992

Product Information

• Purity: 95%