1,4-dioxaspiro[4.4]nonan-7-amine

• ChemBase ID: 247727
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C12(CC(N)CC2)OCCO1
• Canonical SMILES: NC1CCC2(C1)OCCO2
• InChI: InChI=1S/C7H13NO2/c8-6-1-2-7(5-6)9-3-4-10-7/h6H,1-5,8H2
• InChIKey: FTUCRLHGAZBPBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxaspiro[4.4]nonan-7-amine
• IUPAC Traditional name: 1,4-dioxaspiro[4.4]nonan-7-amine
• Synonyms: 1,4-dioxaspiro[4.4]nonan-7-amine

Database IDs

• MDL Number: MFCD21877587
• PubChem SID: 164303637
• PubChem CID: 53496016

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8491712
• LogD (pH = 7.4): -2.4787724
• Log P: 0.17641641
• Molar Refractivity: 36.6554 cm^3
• Polarizability: 15.092001 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.653

Product Information

• Purity: 95%