3-ethoxyspiro[3.4]octan-1-amine

• ChemBase ID: 284653
• Molecular Formular: C10H19NO
• Molecular Mass: 169.26396
• Monoisotopic Mass: 169.14666423
• SMILES: C12(C(CC1OCC)N)CCCC2
• Canonical SMILES: CCOC1CC(C21CCCC2)N
• InChI: InChI=1S/C10H19NO/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9H,2-7,11H2,1H3
• InChIKey: XTYJBOSOXNCQDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxyspiro[3.4]octan-1-amine
• IUPAC Traditional name: 3-ethoxyspiro[3.4]octan-1-amine
• Synonyms: 3-ethoxyspiro[3.4]octan-1-amine

Database IDs

• MDL Number: MFCD20391446
• PubChem SID: 180670184
• PubChem CID: 54596090

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8612157
• LogD (pH = 7.4): -1.1669012
• Log P: 1.1493888
• Molar Refractivity: 48.9722 cm^3
• Polarizability: 19.910645 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.043

Product Information

• Purity: 95%