tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate

• ChemBase ID: 39684
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: C(=O)(N1CC2(CC1)CCNCC2)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC2(C1)CCNCC2)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13/h14H,4-10H2,1-3H3
• InChIKey: NFNCPNAVNRBDOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
• IUPAC Traditional name: tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
• Synonyms: tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate; tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate; 2,8-Diazaspiro[4.5]decane, N2-BOC protected; 2-Boc-2,8-Diazaspiro[4.5]decane

Database IDs

• CAS Number: 336191-17-4
• MDL Number: MFCD06739056
• PubChem SID: 161002991
• PubChem CID: 34178604

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.120859
• LogD (pH = 7.4): -1.4334505
• Log P: 1.0991415
• Molar Refractivity: 67.3294 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: Oil

Safety Information

• Storage Condition: Store under N2 at 4°C
• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 98%