tert-butyl 2-amino-7-azaspiro[3.5]nonane-7-carboxylate

• ChemBase ID: 65226
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: C12(CC(C1)N)CCN(CC2)C(=O)OC(C)(C)C
• Canonical SMILES: NC1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(14)9-13/h10H,4-9,14H2,1-3H3
• InChIKey: DICPJODHTVCFGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-amino-7-azaspiro[3.5]nonane-7-carboxylate
• IUPAC Traditional name: tert-butyl 2-amino-7-azaspiro[3.5]nonane-7-carboxylate
• Synonyms: 2-Amino-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester

Database IDs

• CAS Number: 1239319-82-4
• MDL Number: MFCD14581153
• PubChem SID: 162030965
• PubChem CID: 53484529

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.009193
• LogD (pH = 7.4): -1.5951098
• Log P: 1.0149894
• Molar Refractivity: 66.98 cm^3
• Polarizability: 26.645468 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%