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

• ChemBase ID: 66843
• Molecular Formular: C12H23ClN2O2
• Molecular Mass: 262.77622
• Monoisotopic Mass: 262.14480567
• SMILES: C1NCC21CCN(CC2)C(=O)OC(C)(C)C.Cl
• Canonical SMILES: O=C(N1CCC2(CC1)CNC2)OC(C)(C)C.Cl
• InChI: InChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;/h13H,4-9H2,1-3H3;1H
• InChIKey: HVLQURGQQISYSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1023301-84-9
• MDL Number: MFCD13185086
• PubChem SID: 162032579
• PubChem CID: 45489808

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4132686
• LogD (pH = 7.4): -1.7874163
• 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%