2,9-diazaspiro[6.6]tridecane dihydrochloride

• ChemBase ID: 65283
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: C12(CNCCCC1)CNCCCC2.Cl.Cl
• Canonical SMILES: C1CCCC2(CN1)CCCCNC2.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-3-7-12-9-11(5-1)6-2-4-8-13-10-11;;/h12-13H,1-10H2;2*1H
• InChIKey: LNDUQUQDIWOLGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,9-diazaspiro[6.6]tridecane dihydrochloride
• IUPAC Traditional name: 2,9-diazaspiro[6.6]tridecane dihydrochloride
• Synonyms: 2,9-Diazaspiro[6.6]tridecane dihydrochloride

Database IDs

• CAS Number: 1160801-01-3
• MDL Number: MFCD18381990
• PubChem SID: 162031022
• PubChem CID: 71299022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.8726416
• LogD (pH = 7.4): -3.1071484
• Log P: 1.3055619
• Molar Refractivity: 55.9833 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%