tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride

• ChemBase ID: 288682
• Molecular Formular: C12H23ClN2O2
• Molecular Mass: 262.77622
• Monoisotopic Mass: 262.14480567
• SMILES: O=C(N1CC2(CCNCC2)C1)OC(C)(C)C.Cl
• Canonical SMILES: O=C(N1CC2(C1)CCNCC2)OC(C)(C)C.Cl
• InChI: InChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-8-12(9-14)4-6-13-7-5-12;/h13H,4-9H2,1-3H3;1H
• InChIKey: SZACTFROZQQOJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride
• IUPAC Traditional name: tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride
• Synonyms: tert-Butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride

Database IDs

• CAS Number: 929302-18-1
• PubChem SID: 180674213
• PubChem CID: 24820549

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.409326
• LogD (pH = 7.4): -1.7189679
• Log P: 0.8104803
• Molar Refractivity: 62.5744 cm^3
• Polarizability: 24.80672 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%