tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate hydrochloride

• ChemBase ID: 112986
• Molecular Formular: C13H25ClN2O2
• Molecular Mass: 276.8028
• Monoisotopic Mass: 276.16045573
• SMILES: C(=O)(N1C2(CCNC2)CCCC1)OC(C)(C)C.Cl
• Canonical SMILES: O=C(N1CCCCC21CCNC2)OC(C)(C)C.Cl
• InChI: InChI=1S/C13H24N2O2.ClH/c1-12(2,3)17-11(16)15-9-5-4-6-13(15)7-8-14-10-13;/h14H,4-10H2,1-3H3;1H
• InChIKey: WRLUSDDIJGZNSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate hydrochloride
• IUPAC Traditional name: tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate hydrochloride
• Synonyms: tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate hydrochloride

Database IDs

• PubChem SID: 162106871
• PubChem CID: 71300242

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7868896
• LogD (pH = 7.4): -1.4380873
• Log P: 1.4482479
• Molar Refractivity: 67.0111 cm^3
• Polarizability: 26.645468 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115 °C

Safety Information

• Storage Condition: Under N2

Product Information

• Purity: >95%