1,9-dioxaspiro[5.5]undecan-4-amine hydrochloride

• ChemBase ID: 239388
• Molecular Formular: C9H18ClNO2
• Molecular Mass: 207.69772
• Monoisotopic Mass: 207.1026065
• SMILES: C12(OCCC(C1)N)CCOCC2.Cl
• Canonical SMILES: NC1CCOC2(C1)CCOCC2.Cl
• InChI: InChI=1S/C9H17NO2.ClH/c10-8-1-4-12-9(7-8)2-5-11-6-3-9;/h8H,1-7,10H2;1H
• InChIKey: GUWHZBMGPGBSKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,9-dioxaspiro[5.5]undecan-4-amine hydrochloride
• IUPAC Traditional name: 1,9-dioxaspiro[5.5]undecan-4-amine hydrochloride
• Synonyms: 1,9-dioxaspiro[5.5]undecan-4-amine hydrochloride

Database IDs

• MDL Number: MFCD22378735
• PubChem SID: 164295298
• PubChem CID: 71756403

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -3.805106
• LogD (pH = 7.4): -3.4413288
• Log P: -0.779318
• Molar Refractivity: 46.7594 cm^3
• Polarizability: 18.76417 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.44

Product Information

• Purity: 95%